1-ethyl-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-6-(trifluoromethyl)quinolin-4-one

Systemtic Name: 1-ethyl-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-6-(trifluoromethyl)quinolin-4-one Openeye Name: 3-(4-benzylpiperazine-1-carbonyl)-1-ethyl-6-(trifluoromethyl)quinolin-4-one CAS Name: 1-ethyl-3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-6-(trifluoromethyl)-4-quinolinone IUPAC Name: 3-(4-benzylpiperazine-1-carbonyl)-1-ethyl-6-(trifluoromethyl)quinolin-4-one Traditional Name: 3-(4-benzylpiperazine-1-carbonyl)-1-ethyl-6-(trifluoromethyl)-4-quinolone Formula: C24H24F3N3O2 MolecularWeight: 443.46147

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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=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H24F3N3O2/c1-2-29-16-20(22(31)19-14-18(24(25,26)27)8-9-21(19)29)23(32)30-12-10-28(11-13-30)15-17-6-4-3-5-7-17/h3-9,14,16H,2,10-13,15H2,1H3