ELN-441958

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H29ClN4O2
Molecular Weight	501.019
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

ClC1=CC=CC2=C1C(=O)N(C2)C3=CC=CC(=C3)C(=O)N4CCC5(CC4)CCN(CC5)C6=CC=NC=C6

InChI

InChIKey=ARYQHSWJGHCGJS-UHFFFAOYSA-N

InChI=1S/C29H29ClN4O2/c30-25-6-2-4-22-20-34(28(36)26(22)25)24-5-1-3-21(19-24)27(35)33-17-11-29(12-18-33)9-15-32(16-10-29)23-7-13-31-14-8-23/h1-8,13-14,19H,9-12,15-18,20H2

HIDE SMILES / InChI

Molecular Formula	C29H29ClN4O2
Molecular Weight	501.019
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:40:08 UTC 2023` Edited by `admin` on `Sat Dec 16 08:40:08 UTC 2023`
Record UNII	G62X909Y89
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ELN-441958

Common Name

English

3,9-DIAZASPIRO(5.5)UNDECANE, 3-(3-(7-CHLORO-1,3-DIHYDRO-1-OXO-2H-ISOINDOL-2-YL)BENZOYL)-9-(4-PYRIDINYL)-

Systematic Name

English

1H-ISOINDOL-1-ONE, 7-CHLORO-2,3-DIHYDRO-2-(3-((9-(4-PYRIDINYL)-3,9-DIAZASPIRO(5.5)UNDEC-3-YL)CARBONYL)PHENYL)-

Systematic Name

English

7-CHLORO-2-(3-((9-(PYRIDIN-4-YL)-3,9-DIAZASPIRO(5.5)UNDECAN-3-YL)CARBONYL)PHENYL)-2,3-DIHYDROISOINDOL-1-ONE

Systematic Name

English

Code System Code Type Description

CAS

913064-47-8

Created by admin on Sat Dec 16 08:40:08 UTC 2023 , Edited by admin on Sat Dec 16 08:40:08 UTC 2023

PRIMARY

PUBCHEM

11848206

Created by admin on Sat Dec 16 08:40:08 UTC 2023 , Edited by admin on Sat Dec 16 08:40:08 UTC 2023

PRIMARY

FDA UNII

G62X909Y89

Created by admin on Sat Dec 16 08:40:08 UTC 2023 , Edited by admin on Sat Dec 16 08:40:08 UTC 2023

PRIMARY

Related Record Type Details


					PI5P4K0HAG

B1 BRADYKININ RECEPTOR

TARGET -> INHIBITOR

Qualification:

Ki

Amount:

Related Record Type Details


					G62X909Y89

ELN-441958

ACTIVE MOIETY