methyl 13-cyclohexyl-6-(4-pyridin-4-ylpiperazin-1-yl)carbonyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylate

Systemtic Name: methyl 13-cyclohexyl-6-(4-pyridin-4-ylpiperazin-1-yl)carbonyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylate Openeye Name: methyl 13-cyclohexyl-6-[4-(4-pyridyl)piperazine-1-carbonyl]-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylate CAS Name: 13-cyclohexyl-6-[oxo-(4-pyridin-4-yl-1-piperazinyl)methyl]-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid methyl ester IUPAC Name: methyl 13-cyclohexyl-6-(4-pyridin-4-ylpiperazine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylate Traditional Name: 13-cyclohexyl-6-[4-(4-pyridyl)piperazine-1-carbonyl]-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid methyl ester Formula: C35H38N4O3 MolecularWeight: 562.70122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=C3N2CC(CC4=CC=CC=C43)C(=O)N5CCN(CC5)C6=CC=NC=C6)C7CCCCC7

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=C3N2CC(CC4=CC=CC=C43)C(=O)N5CCN(CC5)C6=CC=NC=C6)C7CCCCC7

InChI

InChI=1S/C35H38N4O3/c1-42-35(41)26-11-12-30-31(22-26)39-23-27(34(40)38-19-17-37(18-20-38)28-13-15-36-16-14-28)21-25-9-5-6-10-29(25)33(39)32(30)24-7-3-2-4-8-24/h5-6,9-16,22,24,27H,2-4,7-8,17-21,23H2,1H3