6,7-dimethoxy-2-methyl-4-[4-(phenylmethyl)piperidin-1-yl]carbonyl-isoquinolin-1-one

Systemtic Name: 6,7-dimethoxy-2-methyl-4-[4-(phenylmethyl)piperidin-1-yl]carbonyl-isoquinolin-1-one Openeye Name: 4-(4-benzylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-isoquinolin-1-one CAS Name: 6,7-dimethoxy-2-methyl-4-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-1-isoquinolinone IUPAC Name: 4-(4-benzylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methylisoquinolin-1-one Traditional Name: 4-(4-benzylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-isocarbostyril Formula: C25H28N2O4 MolecularWeight: 420.50082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O4/c1-26-16-21(19-14-22(30-2)23(31-3)15-20(19)24(26)28)25(29)27-11-9-18(10-12-27)13-17-7-5-4-6-8-17/h4-8,14-16,18H,9-13H2,1-3H3