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

Systemtic Name: 2-(4-ethoxyphenyl)-6,7-dimethoxy-4-(4-methylpiperidin-1-yl)carbonyl-isoquinolin-1-one Openeye Name: 2-(4-ethoxyphenyl)-6,7-dimethoxy-4-(4-methylpiperidine-1-carbonyl)isoquinolin-1-one CAS Name: 2-(4-ethoxyphenyl)-6,7-dimethoxy-4-[(4-methyl-1-piperidinyl)-oxomethyl]-1-isoquinolinone IUPAC Name: 2-(4-ethoxyphenyl)-6,7-dimethoxy-4-(4-methylpiperidine-1-carbonyl)isoquinolin-1-one Traditional Name: 6,7-dimethoxy-4-(4-methylpiperidine-1-carbonyl)-2-p-phenetyl-isocarbostyril Formula: C26H30N2O5 MolecularWeight: 450.5268

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)N4CCC(CC4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)N4CCC(CC4)C

InChI

InChI=1S/C26H30N2O5/c1-5-33-19-8-6-18(7-9-19)28-16-22(25(29)27-12-10-17(2)11-13-27)20-14-23(31-3)24(32-4)15-21(20)26(28)30/h6-9,14-17H,5,10-13H2,1-4H3