2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-[4-(2-pyridyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1-one CAS Name: 2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 2-(4-fluorobenzyl)-3-(4-methoxyphenyl)-4-[4-(2-pyridyl)piperazine-1-carbonyl]-3,4-dihydroisocarbostyril Formula: C33H31FN4O3 MolecularWeight: 550.622643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F)C(=O)N5CCN(CC5)C6=CC=CC=N6

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F)C(=O)N5CCN(CC5)C6=CC=CC=N6

InChI

InChI=1S/C33H31FN4O3/c1-41-26-15-11-24(12-16-26)31-30(33(40)37-20-18-36(19-21-37)29-8-4-5-17-35-29)27-6-2-3-7-28(27)32(39)38(31)22-23-9-13-25(34)14-10-23/h2-17,30-31H,18-22H2,1H3