2-(4-ethoxyphenyl)-6,7-dimethoxy-4-(4-phenylpiperazin-1-yl)carbonyl-isoquinolin-1-one

Systemtic Name: 2-(4-ethoxyphenyl)-6,7-dimethoxy-4-(4-phenylpiperazin-1-yl)carbonyl-isoquinolin-1-one Openeye Name: 2-(4-ethoxyphenyl)-6,7-dimethoxy-4-(4-phenylpiperazine-1-carbonyl)isoquinolin-1-one CAS Name: 2-(4-ethoxyphenyl)-6,7-dimethoxy-4-[oxo-(4-phenyl-1-piperazinyl)methyl]-1-isoquinolinone IUPAC Name: 2-(4-ethoxyphenyl)-6,7-dimethoxy-4-(4-phenylpiperazine-1-carbonyl)isoquinolin-1-one Traditional Name: 6,7-dimethoxy-4-(4-phenylpiperazine-1-carbonyl)-2-p-phenetyl-isocarbostyril Formula: C30H31N3O5 MolecularWeight: 513.58424

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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

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

InChI

InChI=1S/C30H31N3O5/c1-4-38-23-12-10-22(11-13-23)33-20-26(24-18-27(36-2)28(37-3)19-25(24)30(33)35)29(34)32-16-14-31(15-17-32)21-8-6-5-7-9-21/h5-13,18-20H,4,14-17H2,1-3H3