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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-6,7-dimethoxy-2-methyl-isoquinolin-1-one Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-isoquinolin-1-one CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-6,7-dimethoxy-2-methyl-1-isoquinolinone IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methylisoquinolin-1-one Traditional Name: 6,7-dimethoxy-2-methyl-4-(4-piperonylpiperazine-1-carbonyl)isocarbostyril Formula: C25H27N3O6 MolecularWeight: 465.49838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O6/c1-26-14-19(17-11-21(31-2)22(32-3)12-18(17)24(26)29)25(30)28-8-6-27(7-9-28)13-16-4-5-20-23(10-16)34-15-33-20/h4-5,10-12,14H,6-9,13,15H2,1-3H3