A-674563

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H22N4O
Molecular Weight	358.4363
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=NNC2=C1C=C(C=C2)C3=CC(OC[C@@H](N)CC4=CC=CC=C4)=CN=C3

InChI

InChIKey=BPNUQXPIQBZCMR-IBGZPJMESA-N

InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H22N4O
Molecular Weight	358.4363
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:17:18 UTC 2023` Edited by `admin` on `Sat Dec 16 12:17:18 UTC 2023`
Record UNII	3W2X0WGW6C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

A-674563

Common Name

English

(.ALPHA.S)-.ALPHA.-(((5-(3-METHYL-1H-INDAZOL-5-YL)-3-PYRIDINYL)OXY)METHYL)BENZENEETHANAMINE

Systematic Name

English

A674563

Code

English

5-(5-((2S)-2-AMINO-3-PHENYLPROPOXY)PYRIDIN-3-YL)-3-METHYL-1H-INDAZOLE

Systematic Name

English

BENZENEETHANAMINE, .ALPHA.-(((5-(3-METHYL-1H-INDAZOL-5-YL)-3-PYRIDINYL)OXY)METHYL)-, (.ALPHA.S)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID10462115