4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-2-propyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-2-propyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(4-benzylpiperazine-1-carbonyl)-2-propyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-2-propyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(4-benzylpiperazine-1-carbonyl)-2-propyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(4-benzylpiperazine-1-carbonyl)-2-propyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisocarbostyril Formula: C33H39N3O5 MolecularWeight: 557.67986

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C5=CC(=C(C(=C5)OC)OC)OC

Isomeric SMILES

CCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C5=CC(=C(C(=C5)OC)OC)OC

InChI

InChI=1S/C33H39N3O5/c1-5-15-36-30(24-20-27(39-2)31(41-4)28(21-24)40-3)29(25-13-9-10-14-26(25)32(36)37)33(38)35-18-16-34(17-19-35)22-23-11-7-6-8-12-23/h6-14,20-21,29-30H,5,15-19,22H2,1-4H3