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

Systemtic Name: 13-cyclohexyl-5-phenethyl-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid Openeye Name: 13-cyclohexyl-5-phenethyl-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid CAS Name: 13-cyclohexyl-5-phenethyl-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid IUPAC Name: 13-cyclohexyl-5-phenethyl-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid Traditional Name: 13-cyclohexyl-5-phenethyl-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid Formula: C31H32N2O2 MolecularWeight: 464.59798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C3C4=CC=CC=C4N(CCN3C5=C2C=CC(=C5)C(=O)O)CCC6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)C2=C3C4=CC=CC=C4N(CCN3C5=C2C=CC(=C5)C(=O)O)CCC6=CC=CC=C6

InChI

InChI=1S/C31H32N2O2/c34-31(35)24-15-16-25-28(21-24)33-20-19-32(18-17-22-9-3-1-4-10-22)27-14-8-7-13-26(27)30(33)29(25)23-11-5-2-6-12-23/h1,3-4,7-10,13-16,21,23H,2,5-6,11-12,17-20H2,(H,34,35)