6-fluoranyl-1-methyl-7-[(3R)-3-methyl-4-pyrimidin-2-yl-piperazin-1-yl]-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-methyl-7-[(3R)-3-methyl-4-pyrimidin-2-yl-piperazin-1-yl]-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-methyl-7-[(3R)-3-methyl-4-pyrimidin-2-yl-piperazin-1-yl]-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-methyl-7-[(3R)-3-methyl-4-(2-pyrimidinyl)-1-piperazinyl]-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-methyl-7-[(3R)-3-methyl-4-pyrimidin-2-ylpiperazin-1-yl]-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-1-methyl-7-[(3R)-3-methyl-4-(2-pyrimidyl)piperazino]-8-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C21H19F4N5O3 MolecularWeight: 465.400873

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=NC=CC=N2)C3=C(C=C4C(=C3C(F)(F)F)N(C=C(C4=O)C(=O)O)C)F

Isomeric SMILES

C[C@@H]1CN(CCN1C2=NC=CC=N2)C3=C(C=C4C(=C3C(F)(F)F)N(C=C(C4=O)C(=O)O)C)F

InChI

InChI=1S/C21H19F4N5O3/c1-11-9-29(6-7-30(11)20-26-4-3-5-27-20)17-14(22)8-12-16(15(17)21(23,24)25)28(2)10-13(18(12)31)19(32)33/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,32,33)/t11-/m1/s1