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

Systemtic Name: 6-azanyl-1-cyclopropyl-4-oxidanylidene-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 6-amino-1-cyclopropyl-4-oxo-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 6-amino-1-cyclopropyl-4-oxo-7-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 6-amino-1-cyclopropyl-4-oxo-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 6-amino-1-cyclopropyl-4-keto-7-[4-[3-(trifluoromethyl)phenyl]piperazino]quinoline-3-carboxylic acid Formula: C24H23F3N4O3 MolecularWeight: 472.45963

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F)N)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F)N)C(=O)O

InChI

InChI=1S/C24H23F3N4O3/c25-24(26,27)14-2-1-3-16(10-14)29-6-8-30(9-7-29)21-12-20-17(11-19(21)28)22(32)18(23(33)34)13-31(20)15-4-5-15/h1-3,10-13,15H,4-9,28H2,(H,33,34)