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

Systemtic Name: 2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-(4-propylpiperazin-1-yl)carbonyl-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-(4-propylpiperazine-1-carbonyl)-3,4-dihydroisoquinolin-1-one CAS Name: 2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-[oxo-(4-propyl-1-piperazinyl)methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-(4-propylpiperazine-1-carbonyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 2-(4-fluorobenzyl)-3-(4-methoxyphenyl)-4-(4-propylpiperazine-1-carbonyl)-3,4-dihydroisocarbostyril Formula: C31H34FN3O3 MolecularWeight: 515.618363

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)CC4=CC=C(C=C4)F)C5=CC=C(C=C5)OC

Isomeric SMILES

CCCN1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)CC4=CC=C(C=C4)F)C5=CC=C(C=C5)OC

InChI

InChI=1S/C31H34FN3O3/c1-3-16-33-17-19-34(20-18-33)31(37)28-26-6-4-5-7-27(26)30(36)35(21-22-8-12-24(32)13-9-22)29(28)23-10-14-25(38-2)15-11-23/h4-15,28-29H,3,16-21H2,1-2H3