3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-1-ethyl-6-(trifluoromethyl)quinolin-4-one

Systemtic Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-1-ethyl-6-(trifluoromethyl)quinolin-4-one Openeye Name: 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-ethyl-6-(trifluoromethyl)quinolin-4-one CAS Name: 3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-1-ethyl-6-(trifluoromethyl)-4-quinolinone IUPAC Name: 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-ethyl-6-(trifluoromethyl)quinolin-4-one Traditional Name: 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-ethyl-6-(trifluoromethyl)-4-quinolone Formula: C25H26F3N3O2 MolecularWeight: 457.48805

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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)C4=CC=CC(=C4C)C

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)C(F)(F)F)C(=O)N3CCN(CC3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C25H26F3N3O2/c1-4-29-15-20(23(32)19-14-18(25(26,27)28)8-9-22(19)29)24(33)31-12-10-30(11-13-31)21-7-5-6-16(2)17(21)3/h5-9,14-15H,4,10-13H2,1-3H3