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

Systemtic Name: tert-butyl 13-cyclohexyl-3-methoxy-6-[3-(4-methylpiperazin-1-yl)carbonylpyridin-2-yl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylate Openeye Name: tert-butyl 13-cyclohexyl-3-methoxy-6-[3-(4-methylpiperazine-1-carbonyl)-2-pyridyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylate 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 tert-butyl ester IUPAC Name: tert-butyl 13-cyclohexyl-3-methoxy-6-[3-(4-methylpiperazine-1-carbonyl)pyridin-2-yl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylate Traditional Name: 13-cyclohexyl-3-methoxy-6-[3-(4-methylpiperazine-1-carbonyl)-2-pyridyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid tert-butyl ester Formula: C40H46N4O4 MolecularWeight: 646.81764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC2=C(C=C1)C(=C3N2CC(=CC4=C3C=CC(=C4)OC)C5=C(C=CC=N5)C(=O)N6CCN(CC6)C)C7CCCCC7

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC2=C(C=C1)C(=C3N2CC(=CC4=C3C=CC(=C4)OC)C5=C(C=CC=N5)C(=O)N6CCN(CC6)C)C7CCCCC7

InChI

InChI=1S/C40H46N4O4/c1-40(2,3)48-39(46)27-13-15-32-34(24-27)44-25-29(36-33(12-9-17-41-36)38(45)43-20-18-42(4)19-21-43)22-28-23-30(47-5)14-16-31(28)37(44)35(32)26-10-7-6-8-11-26/h9,12-17,22-24,26H,6-8,10-11,18-21,25H2,1-5H3