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

Systemtic Name: 13-cyclohexyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid Openeye Name: 13-cyclohexyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid CAS Name: 13-cyclohexyl-6-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid IUPAC Name: 13-cyclohexyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid Traditional Name: 13-cyclohexyl-6-[4-(2-pyrimidyl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid Formula: C33H33N5O3 MolecularWeight: 547.64682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C3C4=CC=CC=C4C=C(CN3C5=C2C=CC(=C5)C(=O)O)C(=O)N6CCN(CC6)C7=NC=CC=N7

Isomeric SMILES

C1CCC(CC1)C2=C3C4=CC=CC=C4C=C(CN3C5=C2C=CC(=C5)C(=O)O)C(=O)N6CCN(CC6)C7=NC=CC=N7

InChI

InChI=1S/C33H33N5O3/c39-31(36-15-17-37(18-16-36)33-34-13-6-14-35-33)25-19-23-9-4-5-10-26(23)30-29(22-7-2-1-3-8-22)27-12-11-24(32(40)41)20-28(27)38(30)21-25/h4-6,9-14,19-20,22H,1-3,7-8,15-18,21H2,(H,40,41)