6-azanyl-1-methyl-4-oxidanylidene-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 6-azanyl-1-methyl-4-oxidanylidene-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 6-amino-1-methyl-4-oxo-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 6-amino-1-methyl-4-oxo-7-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 6-amino-1-methyl-4-oxo-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 6-amino-4-keto-1-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazino]quinoline-3-carboxylic acid Formula: C22H21F3N4O3 MolecularWeight: 446.42235

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)N)C(=O)O

Isomeric SMILES

CN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)N)C(=O)O

InChI

InChI=1S/C22H21F3N4O3/c1-27-12-16(21(31)32)20(30)15-10-17(26)19(11-18(15)27)29-7-5-28(6-8-29)14-4-2-3-13(9-14)22(23,24)25/h2-4,9-12H,5-8,26H2,1H3,(H,31,32)