13-cyclohexyl-5-(phenylmethyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid

Systemtic Name: 13-cyclohexyl-5-(phenylmethyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid Openeye Name: 5-benzyl-13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid CAS Name: 13-cyclohexyl-5-(phenylmethyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid IUPAC Name: 5-benzyl-13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid Traditional Name: 5-benzyl-13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid Formula: C30H30N2O2 MolecularWeight: 450.5714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C3C4=CC=CC=C4N(CCN3C5=C2C=CC(=C5)C(=O)O)CC6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)C2=C3C4=CC=CC=C4N(CCN3C5=C2C=CC(=C5)C(=O)O)CC6=CC=CC=C6

InChI

InChI=1S/C30H30N2O2/c33-30(34)23-15-16-24-27(19-23)32-18-17-31(20-21-9-3-1-4-10-21)26-14-8-7-13-25(26)29(32)28(24)22-11-5-2-6-12-22/h1,3-4,7-10,13-16,19,22H,2,5-6,11-12,17-18,20H2,(H,33,34)