[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(3-methoxyphenyl)quinolin-4-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(3-methoxyphenyl)quinolin-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-4-quinolyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(3-methoxyphenyl)-4-quinolinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(3-methoxyphenyl)quinolin-4-yl]methanone Traditional Name: [2-(3-methoxyphenyl)-4-quinolyl]-(4-piperonylpiperazino)methanone Formula: C29H27N3O4 MolecularWeight: 481.54238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H27N3O4/c1-34-22-6-4-5-21(16-22)26-17-24(23-7-2-3-8-25(23)30-26)29(33)32-13-11-31(12-14-32)18-20-9-10-27-28(15-20)36-19-35-27/h2-10,15-17H,11-14,18-19H2,1H3