5-methyl-3-(4-methylphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)carbonyl-pyridazino[4,5-b]indol-4-one

Systemtic Name: 5-methyl-3-(4-methylphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)carbonyl-pyridazino[4,5-b]indol-4-one Openeye Name: 5-methyl-1-[4-(1-piperidyl)piperidine-1-carbonyl]-3-(p-tolyl)pyridazino[4,5-b]indol-4-one CAS Name: 5-methyl-3-(4-methylphenyl)-1-[oxo-[4-(1-piperidinyl)-1-piperidinyl]methyl]-4-pyridazino[4,5-b]indolone IUPAC Name: 5-methyl-3-(4-methylphenyl)-1-(4-piperidin-1-ylpiperidine-1-carbonyl)pyridazino[4,5-b]indol-4-one Traditional Name: 5-methyl-1-(4-piperidinopiperidine-1-carbonyl)-3-(p-tolyl)pyridazin[4,5-b]indol-4-one Formula: C29H33N5O2 MolecularWeight: 483.60462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3C)C(=N2)C(=O)N5CCC(CC5)N6CCCCC6

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3C)C(=N2)C(=O)N5CCC(CC5)N6CCCCC6

InChI

InChI=1S/C29H33N5O2/c1-20-10-12-22(13-11-20)34-29(36)27-25(23-8-4-5-9-24(23)31(27)2)26(30-34)28(35)33-18-14-21(15-19-33)32-16-6-3-7-17-32/h4-5,8-13,21H,3,6-7,14-19H2,1-2H3