(3S)-9',9'-dimethylspiro[1H-indole-3,6'-5,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine]-2,7'-dione

Systemtic Name: (3S)-9',9'-dimethylspiro[1H-indole-3,6'-5,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine]-2,7'-dione Openeye Name: (6S)-9,9-dimethylspiro[5,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-6,3'-indoline]-2',7-dione CAS Name: (3S)-9',9'-dimethylspiro[1H-indole-3,6'-5,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine]-2,7'-dione IUPAC Name: (3S)-9',9'-dimethylspiro[1H-indole-3,6'-5,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine]-2,7'-dione Traditional Name: (6S)-9,9-dimethylspiro[5,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-6,3'-indoline]-2',7-quinone Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C3(C4=CC=CC=C4NC3=O)NC5=CC=CC=C5N2)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)[C@]3(C4=CC=CC=C4NC3=O)NC5=CC=CC=C5N2)C

InChI

InChI=1S/C22H21N3O2/c1-21(2)11-17-19(18(26)12-21)22(25-16-10-6-5-9-15(16)23-17)13-7-3-4-8-14(13)24-20(22)27/h3-10,23,25H,11-12H2,1-2H3,(H,24,27)/t22-/m0/s1