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

Systemtic Name: 3-methyl-1-[1-(4-methylphenyl)-7-(1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl)oxy-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Openeye Name: 3-methyl-1-[7-(1-methyl-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-[1-oxo-1-(1-pyrrolidinyl)propan-2-yl]oxy-3,4-dihydro-1H-isoquinolin-2-yl]-1-butanone IUPAC Name: 3-methyl-1-[1-(4-methylphenyl)-7-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxy-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Traditional Name: 1-[7-(2-keto-1-methyl-2-pyrrolidino-ethoxy)-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-butan-1-one Formula: C28H36N2O3 MolecularWeight: 448.59704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N2O3/c1-19(2)17-26(31)30-16-13-22-11-12-24(33-21(4)28(32)29-14-5-6-15-29)18-25(22)27(30)23-9-7-20(3)8-10-23/h7-12,18-19,21,27H,5-6,13-17H2,1-4H3