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

Systemtic Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-6-(4-ethoxyphenyl)pyrimidin-4-one Openeye Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-6-(4-ethoxyphenyl)pyrimidin-4-one CAS Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(4-ethoxyphenyl)-4-pyrimidinone IUPAC Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(4-ethoxyphenyl)pyrimidin-4-one Traditional Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-6-p-phenetyl-pyrimidin-4-one Formula: C23H23N3O3 MolecularWeight: 389.44702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC(=O)N(C=N2)CC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC(=O)N(C=N2)CC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H23N3O3/c1-2-29-20-9-7-18(8-10-20)21-13-22(27)26(16-24-21)15-23(28)25-12-11-17-5-3-4-6-19(17)14-25/h3-10,13,16H,2,11-12,14-15H2,1H3