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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-methyl-3-(2-thienyl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Traditional Name: 2-methyl-4-(4-piperonylpiperazine-1-carbonyl)-3-(2-thienyl)-3,4-dihydroisocarbostyril Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O4S/c1-28-25(23-7-4-14-35-23)24(19-5-2-3-6-20(19)26(28)31)27(32)30-12-10-29(11-13-30)16-18-8-9-21-22(15-18)34-17-33-21/h2-9,14-15,24-25H,10-13,16-17H2,1H3