3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-6-(4-methylphenyl)pyrimidin-4-one

Systemtic Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-6-(4-methylphenyl)pyrimidin-4-one Openeye Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-6-(p-tolyl)pyrimidin-4-one CAS Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(4-methylphenyl)-4-pyrimidinone IUPAC Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(4-methylphenyl)pyrimidin-4-one Traditional Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-6-(p-tolyl)pyrimidin-4-one Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=O)N(C=N2)CC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=O)N(C=N2)CC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H21N3O2/c1-16-6-8-18(9-7-16)20-12-21(26)25(15-23-20)14-22(27)24-11-10-17-4-2-3-5-19(17)13-24/h2-9,12,15H,10-11,13-14H2,1H3