4-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-2-(4-ethoxyphenyl)-6,7-dimethoxy-isoquinolin-1-one

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-2-(4-ethoxyphenyl)-6,7-dimethoxy-isoquinolin-1-one Openeye Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-ethoxyphenyl)-6,7-dimethoxy-isoquinolin-1-one CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-isoquinolinone IUPAC Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolin-1-one Traditional Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-p-phenetyl-isocarbostyril Formula: C30H30ClN3O5 MolecularWeight: 548.0293

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)N4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)N4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C30H30ClN3O5/c1-4-39-23-10-8-21(9-11-23)34-19-26(24-17-27(37-2)28(38-3)18-25(24)30(34)36)29(35)33-14-12-32(13-15-33)22-7-5-6-20(31)16-22/h5-11,16-19H,4,12-15H2,1-3H3