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

Systemtic Name: 13-cyclohexyl-3-methoxy-6-[3-(4-oxidanylpiperidin-1-yl)carbonylpyridin-2-yl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid Openeye Name: 13-cyclohexyl-6-[3-(4-hydroxypiperidine-1-carbonyl)-2-pyridyl]-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid CAS Name: 13-cyclohexyl-6-[3-[(4-hydroxy-1-piperidinyl)-oxomethyl]-2-pyridinyl]-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid IUPAC Name: 13-cyclohexyl-6-[3-(4-hydroxypiperidine-1-carbonyl)pyridin-2-yl]-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid Traditional Name: 13-cyclohexyl-6-[3-(4-hydroxypiperidine-1-carbonyl)-2-pyridyl]-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid Formula: C36H37N3O5 MolecularWeight: 591.69608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(C4=C(N3CC(=C2)C5=C(C=CC=N5)C(=O)N6CCC(CC6)O)C=C(C=C4)C(=O)O)C7CCCCC7

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(C4=C(N3CC(=C2)C5=C(C=CC=N5)C(=O)N6CCC(CC6)O)C=C(C=C4)C(=O)O)C7CCCCC7

InChI

InChI=1S/C36H37N3O5/c1-44-27-10-12-28-24(19-27)18-25(33-30(8-5-15-37-33)35(41)38-16-13-26(40)14-17-38)21-39-31-20-23(36(42)43)9-11-29(31)32(34(28)39)22-6-3-2-4-7-22/h5,8-12,15,18-20,22,26,40H,2-4,6-7,13-14,16-17,21H2,1H3,(H,42,43)