3-methyl-1-[1-(4-methylphenyl)-7-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one

Systemtic Name: 3-methyl-1-[1-(4-methylphenyl)-7-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Openeye Name: 3-methyl-1-[7-(2-oxo-2-pyrrolidin-1-yl-ethoxy)-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one CAS Name: 3-methyl-1-[1-(4-methylphenyl)-7-[2-oxo-2-(1-pyrrolidinyl)ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-1-butanone IUPAC Name: 3-methyl-1-[1-(4-methylphenyl)-7-(2-oxo-2-pyrrolidin-1-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Traditional Name: 1-[7-(2-keto-2-pyrrolidino-ethoxy)-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-butan-1-one Formula: C27H34N2O3 MolecularWeight: 434.57046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=C(CCN2C(=O)CC(C)C)C=CC(=C3)OCC(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2C3=C(CCN2C(=O)CC(C)C)C=CC(=C3)OCC(=O)N4CCCC4

InChI

InChI=1S/C27H34N2O3/c1-19(2)16-25(30)29-15-12-21-10-11-23(32-18-26(31)28-13-4-5-14-28)17-24(21)27(29)22-8-6-20(3)7-9-22/h6-11,17,19,27H,4-5,12-16,18H2,1-3H3