2,3-bis(4-methoxyphenyl)-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2,3-bis(4-methoxyphenyl)-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(4-benzylpiperazine-1-carbonyl)-2,3-bis(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one CAS Name: 2,3-bis(4-methoxyphenyl)-4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(4-benzylpiperazine-1-carbonyl)-2,3-bis(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(4-benzylpiperazine-1-carbonyl)-2,3-bis(4-methoxyphenyl)-3,4-dihydroisocarbostyril Formula: C35H35N3O4 MolecularWeight: 561.6701

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC)C(=O)N5CCN(CC5)CC6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC)C(=O)N5CCN(CC5)CC6=CC=CC=C6

InChI

InChI=1S/C35H35N3O4/c1-41-28-16-12-26(13-17-28)33-32(35(40)37-22-20-36(21-23-37)24-25-8-4-3-5-9-25)30-10-6-7-11-31(30)34(39)38(33)27-14-18-29(42-2)19-15-27/h3-19,32-33H,20-24H2,1-2H3