4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-6,7-dimethoxy-2-(2-methylpropyl)isoquinolin-1-one

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-6,7-dimethoxy-2-(2-methylpropyl)isoquinolin-1-one Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-isobutyl-6,7-dimethoxy-isoquinolin-1-one CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-6,7-dimethoxy-2-(2-methylpropyl)-1-isoquinolinone IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-(2-methylpropyl)isoquinolin-1-one Traditional Name: 2-isobutyl-6,7-dimethoxy-4-(4-piperonylpiperazine-1-carbonyl)isocarbostyril Formula: C28H33N3O6 MolecularWeight: 507.57812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H33N3O6/c1-18(2)14-31-16-22(20-12-24(34-3)25(35-4)13-21(20)27(31)32)28(33)30-9-7-29(8-10-30)15-19-5-6-23-26(11-19)37-17-36-23/h5-6,11-13,16,18H,7-10,14-15,17H2,1-4H3