6,6-dimethyl-2-(4-methylphenyl)-4-(4-piperidin-1-ylpiperidin-1-yl)carbonyl-5,7-dihydroisoquinoline-3,8-dione

Systemtic Name: 6,6-dimethyl-2-(4-methylphenyl)-4-(4-piperidin-1-ylpiperidin-1-yl)carbonyl-5,7-dihydroisoquinoline-3,8-dione Openeye Name: 6,6-dimethyl-4-[4-(1-piperidyl)piperidine-1-carbonyl]-2-(p-tolyl)-5,7-dihydroisoquinoline-3,8-dione CAS Name: 6,6-dimethyl-2-(4-methylphenyl)-4-[oxo-[4-(1-piperidinyl)-1-piperidinyl]methyl]-5,7-dihydroisoquinoline-3,8-dione IUPAC Name: 6,6-dimethyl-2-(4-methylphenyl)-4-(4-piperidin-1-ylpiperidine-1-carbonyl)-5,7-dihydroisoquinoline-3,8-dione Traditional Name: 6,6-dimethyl-4-(4-piperidinopiperidine-1-carbonyl)-2-(p-tolyl)-5,7-dihydroisoquinoline-3,8-quinone Formula: C29H37N3O3 MolecularWeight: 475.62238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C3C(=C(C2=O)C(=O)N4CCC(CC4)N5CCCCC5)CC(CC3=O)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C3C(=C(C2=O)C(=O)N4CCC(CC4)N5CCCCC5)CC(CC3=O)(C)C

InChI

InChI=1S/C29H37N3O3/c1-20-7-9-22(10-8-20)32-19-24-23(17-29(2,3)18-25(24)33)26(28(32)35)27(34)31-15-11-21(12-16-31)30-13-5-4-6-14-30/h7-10,19,21H,4-6,11-18H2,1-3H3