13-cyclohexyl-6-[(3-oxidanylidene-1,2-diazinan-1-yl)carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid

Systemtic Name: 13-cyclohexyl-6-[(3-oxidanylidene-1,2-diazinan-1-yl)carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid Openeye Name: 13-cyclohexyl-6-(3-oxohexahydropyridazine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid CAS Name: 13-cyclohexyl-6-[oxo-(3-oxo-1-diazinanyl)methyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid IUPAC Name: 13-cyclohexyl-6-(3-oxodiazinane-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid Traditional Name: 13-cyclohexyl-6-(3-ketohexahydropyridazine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid Formula: C29H29N3O4 MolecularWeight: 483.55826

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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)N6CCCC(=O)N6

Isomeric SMILES

C1CCC(CC1)C2=C3C4=CC=CC=C4C=C(CN3C5=C2C=CC(=C5)C(=O)O)C(=O)N6CCCC(=O)N6

InChI

InChI=1S/C29H29N3O4/c33-25-11-6-14-32(30-25)28(34)21-15-19-9-4-5-10-22(19)27-26(18-7-2-1-3-8-18)23-13-12-20(29(35)36)16-24(23)31(27)17-21/h4-5,9-10,12-13,15-16,18H,1-3,6-8,11,14,17H2,(H,30,33)(H,35,36)