1-[4-[4-[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylpiperazin-1-yl]phenyl]ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

InChI

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