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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-6,7-dimethoxy-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-3-(2-thienyl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-6,7-dimethoxy-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Traditional Name: 6,7-dimethoxy-2-methyl-4-(4-piperonylpiperazine-1-carbonyl)-3-(2-thienyl)-3,4-dihydroisocarbostyril Formula: C29H31N3O6S MolecularWeight: 549.63794

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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)C6=CC=CS6

Isomeric SMILES

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=CS6

InChI

InChI=1S/C29H31N3O6S/c1-30-27(25-5-4-12-39-25)26(19-14-22(35-2)23(36-3)15-20(19)28(30)33)29(34)32-10-8-31(9-11-32)16-18-6-7-21-24(13-18)38-17-37-21/h4-7,12-15,26-27H,8-11,16-17H2,1-3H3