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

Systemtic Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-6-(4-fluorophenyl)pyrimidin-4-one Openeye Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-6-(4-fluorophenyl)pyrimidin-4-one CAS Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(4-fluorophenyl)-4-pyrimidinone IUPAC Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(4-fluorophenyl)pyrimidin-4-one Traditional Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-6-(4-fluorophenyl)pyrimidin-4-one Formula: C21H18FN3O2 MolecularWeight: 363.384923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CN3C=NC(=CC3=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CN3C=NC(=CC3=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H18FN3O2/c22-18-7-5-16(6-8-18)19-11-20(26)25(14-23-19)13-21(27)24-10-9-15-3-1-2-4-17(15)12-24/h1-8,11,14H,9-10,12-13H2