3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-1-ethyl-6-(trifluoromethyl)quinolin-4-one

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-1-ethyl-6-(trifluoromethyl)quinolin-4-one Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1-ethyl-6-(trifluoromethyl)quinolin-4-one CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-1-ethyl-6-(trifluoromethyl)-4-quinolinone IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1-ethyl-6-(trifluoromethyl)quinolin-4-one Traditional Name: 1-ethyl-3-(4-piperonylpiperazine-1-carbonyl)-6-(trifluoromethyl)-4-quinolone Formula: C25H24F3N3O4 MolecularWeight: 487.47097

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)C(F)(F)F)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)C(F)(F)F)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H24F3N3O4/c1-2-30-14-19(23(32)18-12-17(25(26,27)28)4-5-20(18)30)24(33)31-9-7-29(8-10-31)13-16-3-6-21-22(11-16)35-15-34-21/h3-6,11-12,14H,2,7-10,13,15H2,1H3