1,3-benzodioxol-5-yl-[4-[2-(4-methylphenyl)quinolin-4-yl]carbonylpiperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[2-(4-methylphenyl)quinolin-4-yl]carbonylpiperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[2-(p-tolyl)quinoline-4-carbonyl]piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[[2-(4-methylphenyl)-4-quinolinyl]-oxomethyl]-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-[2-(p-tolyl)quinoline-4-carbonyl]piperazino]methanone Formula: C29H25N3O4 MolecularWeight: 479.5265

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H25N3O4/c1-19-6-8-20(9-7-19)25-17-23(22-4-2-3-5-24(22)30-25)29(34)32-14-12-31(13-15-32)28(33)21-10-11-26-27(16-21)36-18-35-26/h2-11,16-17H,12-15,18H2,1H3