13-cyclohexyl-6-(4-methylpiperazin-1-yl)carbonyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid

Systemtic Name: 13-cyclohexyl-6-(4-methylpiperazin-1-yl)carbonyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid Openeye Name: 13-cyclohexyl-6-(4-methylpiperazine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid CAS Name: 13-cyclohexyl-6-[(4-methyl-1-piperazinyl)-oxomethyl]-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid IUPAC Name: 13-cyclohexyl-6-(4-methylpiperazine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid Traditional Name: 13-cyclohexyl-6-(4-methylpiperazine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid Formula: C30H35N3O3 MolecularWeight: 485.6172

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2CC3=CC=CC=C3C4=C(C5=C(N4C2)C=C(C=C5)C(=O)O)C6CCCCC6

Isomeric SMILES

CN1CCN(CC1)C(=O)C2CC3=CC=CC=C3C4=C(C5=C(N4C2)C=C(C=C5)C(=O)O)C6CCCCC6

InChI

InChI=1S/C30H35N3O3/c1-31-13-15-32(16-14-31)29(34)23-17-21-9-5-6-10-24(21)28-27(20-7-3-2-4-8-20)25-12-11-22(30(35)36)18-26(25)33(28)19-23/h5-6,9-12,18,20,23H,2-4,7-8,13-17,19H2,1H3,(H,35,36)