1-[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-(4-methylphenyl)pyrrolidin-1-yl]-3,3-dimethyl-butan-1-one

Systemtic Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-(4-methylphenyl)pyrrolidin-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-(p-tolyl)pyrrolidin-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-4-(4-methylphenyl)-1-pyrrolidinyl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-(4-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-(p-tolyl)pyrrolidino]-3,3-dimethyl-butan-1-one Formula: C27H34N2O2 MolecularWeight: 418.57106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CN(CC2C(=O)N3CCC4=CC=CC=C4C3)C(=O)CC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2CN(CC2C(=O)N3CCC4=CC=CC=C4C3)C(=O)CC(C)(C)C

InChI

InChI=1S/C27H34N2O2/c1-19-9-11-21(12-10-19)23-17-29(25(30)15-27(2,3)4)18-24(23)26(31)28-14-13-20-7-5-6-8-22(20)16-28/h5-12,23-24H,13-18H2,1-4H3