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

Systemtic Name: 6,7-dimethoxy-2-methyl-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-isoquinolin-1-one Openeye Name: 4-(4-benzylpiperazine-1-carbonyl)-6,7-dimethoxy-2-methyl-isoquinolin-1-one CAS Name: 6,7-dimethoxy-2-methyl-4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1-isoquinolinone IUPAC Name: 4-(4-benzylpiperazine-1-carbonyl)-6,7-dimethoxy-2-methylisoquinolin-1-one Traditional Name: 4-(4-benzylpiperazine-1-carbonyl)-6,7-dimethoxy-2-methyl-isocarbostyril Formula: C24H27N3O4 MolecularWeight: 421.48888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O4/c1-25-16-20(18-13-21(30-2)22(31-3)14-19(18)23(25)28)24(29)27-11-9-26(10-12-27)15-17-7-5-4-6-8-17/h4-8,13-14,16H,9-12,15H2,1-3H3