Stereochemistry | ABSOLUTE |
Molecular Formula | C31H35ClN8O2 |
Molecular Weight | 587.115 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CN(C)C\C=C\C(=O)NC1=CN=C(C=C1)C(=O)N[C@@]2(C)CCC[C@H](C2)NC3=NC=C(Cl)C(=N3)C4=CNC5=C4C=CC=C5
InChI
InChIKey=SCJNYBYSTCRPAO-LXBQGUBHSA-N
InChI=1S/C31H35ClN8O2/c1-31(39-29(42)26-13-12-21(17-33-26)36-27(41)11-7-15-40(2)3)14-6-8-20(16-31)37-30-35-19-24(32)28(38-30)23-18-34-25-10-5-4-9-22(23)25/h4-5,7,9-13,17-20,34H,6,8,14-16H2,1-3H3,(H,36,41)(H,39,42)(H,35,37,38)/b11-7+/t20-,31+/m1/s1
Molecular Formula | C31H35ClN8O2 |
Molecular Weight | 587.115 |
Charge | 0 |
Count |
MOL RATIO
1 MOL RATIO (average) |
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 1 |
Optical Activity | UNSPECIFIED |