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

Systemtic Name: 2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)carbonyl-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)-3,4-dihydroisoquinolin-1-one CAS Name: 2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-[oxo-(4-phenyl-1-piperazinyl)methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 2-(4-fluorobenzyl)-3-(4-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)-3,4-dihydroisocarbostyril Formula: C34H32FN3O3 MolecularWeight: 549.634583

Click to see the large picture

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=C6

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=C6

InChI

InChI=1S/C34H32FN3O3/c1-41-28-17-13-25(14-18-28)32-31(34(40)37-21-19-36(20-22-37)27-7-3-2-4-8-27)29-9-5-6-10-30(29)33(39)38(32)23-24-11-15-26(35)16-12-24/h2-18,31-32H,19-23H2,1H3