1-methyl-4-oxidanylidene-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,8-naphthyridine-3-carboxylic acid

Systemtic Name: 1-methyl-4-oxidanylidene-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,8-naphthyridine-3-carboxylic acid Openeye Name: 1-methyl-4-oxo-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,8-naphthyridine-3-carboxylic acid CAS Name: 1-methyl-4-oxo-7-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-1,8-naphthyridine-3-carboxylic acid IUPAC Name: 1-methyl-4-oxo-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,8-naphthyridine-3-carboxylic acid Traditional Name: 4-keto-1-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazino]-1,8-naphthyridine-3-carboxylic acid Formula: C21H19F3N4O3 MolecularWeight: 432.39577

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1N=C(C=C2)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)C(=O)O

Isomeric SMILES

CN1C=C(C(=O)C2=C1N=C(C=C2)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)C(=O)O

InChI

InChI=1S/C21H19F3N4O3/c1-26-12-16(20(30)31)18(29)15-5-6-17(25-19(15)26)28-9-7-27(8-10-28)14-4-2-3-13(11-14)21(22,23)24/h2-6,11-12H,7-10H2,1H3,(H,30,31)