13-cyclohexyl-3-methoxy-6-[3-(4-methylpiperazin-1-yl)carbonylpyridin-2-yl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid

Systemtic Name: 13-cyclohexyl-3-methoxy-6-[3-(4-methylpiperazin-1-yl)carbonylpyridin-2-yl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid Openeye Name: 13-cyclohexyl-3-methoxy-6-[3-(4-methylpiperazine-1-carbonyl)-2-pyridyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid CAS Name: 13-cyclohexyl-3-methoxy-6-[3-[(4-methyl-1-piperazinyl)-oxomethyl]-2-pyridinyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid IUPAC Name: 13-cyclohexyl-3-methoxy-6-[3-(4-methylpiperazine-1-carbonyl)pyridin-2-yl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid Traditional Name: 13-cyclohexyl-3-methoxy-6-[3-(4-methylpiperazine-1-carbonyl)-2-pyridyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid Formula: C36H38N4O4 MolecularWeight: 590.71132

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=C(N=CC=C2)C3=CC4=C(C=CC(=C4)OC)C5=C(C6=C(N5C3)C=C(C=C6)C(=O)O)C7CCCCC7

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=C(N=CC=C2)C3=CC4=C(C=CC(=C4)OC)C5=C(C6=C(N5C3)C=C(C=C6)C(=O)O)C7CCCCC7

InChI

InChI=1S/C36H38N4O4/c1-38-15-17-39(18-16-38)35(41)30-9-6-14-37-33(30)26-19-25-20-27(44-2)11-13-28(25)34-32(23-7-4-3-5-8-23)29-12-10-24(36(42)43)21-31(29)40(34)22-26/h6,9-14,19-21,23H,3-5,7-8,15-18,22H2,1-2H3,(H,42,43)