4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2-(4-methoxyphenyl)isoquinolin-1-one

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2-(4-methoxyphenyl)isoquinolin-1-one Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-(4-methoxyphenyl)isoquinolin-1-one CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-2-(4-methoxyphenyl)-1-isoquinolinone IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-(4-methoxyphenyl)isoquinolin-1-one Traditional Name: 2-(4-methoxyphenyl)-4-(4-piperonylpiperazine-1-carbonyl)isocarbostyril Formula: C29H27N3O5 MolecularWeight: 497.54178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H27N3O5/c1-35-22-9-7-21(8-10-22)32-18-25(23-4-2-3-5-24(23)29(32)34)28(33)31-14-12-30(13-15-31)17-20-6-11-26-27(16-20)37-19-36-26/h2-11,16,18H,12-15,17,19H2,1H3