1-butyl-4,10a-diphenyl-5,10-dihydropyrrolo[2,3-b][1,5]benzodiazepine-2,3-dione

Systemtic Name: 1-butyl-4,10a-diphenyl-5,10-dihydropyrrolo[2,3-b][1,5]benzodiazepine-2,3-dione Openeye Name: 1-butyl-4,10a-diphenyl-5,10-dihydropyrrolo[2,3-b][1,5]benzodiazepine-2,3-dione CAS Name: 1-butyl-4,10a-diphenyl-5,10-dihydropyrrolo[2,3-b][1,5]benzodiazepine-2,3-dione IUPAC Name: 1-butyl-4,10a-diphenyl-5,10-dihydropyrrolo[2,3-b][1,5]benzodiazepine-2,3-dione Traditional Name: 1-butyl-4,10a-diphenyl-5,10-dihydropyrrolo[2,3-b][1,5]benzodiazepine-2,3-quinone Formula: C27H25N3O2 MolecularWeight: 423.5063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=O)C2=C(NC3=CC=CC=C3NC21C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCN1C(=O)C(=O)C2=C(NC3=CC=CC=C3NC21C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O2/c1-2-3-18-30-26(32)25(31)23-24(19-12-6-4-7-13-19)28-21-16-10-11-17-22(21)29-27(23,30)20-14-8-5-9-15-20/h4-17,28-29H,2-3,18H2,1H3