1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-7-pyrrolidin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-7-pyrrolidin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-6,8-difluoro-4-oxo-7-pyrrolidin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-6,8-difluoro-4-oxo-7-(1-pyrrolidinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6,8-difluoro-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylic acid Traditional Name: 6,8-difluoro-4-keto-1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-7-pyrrolidino-quinoline-3-carboxylic acid Formula: C25H22F2N4O4 MolecularWeight: 480.463386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C=C(C(=O)C4=CC(=C(C(=C43)F)N5CCCC5)F)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C=C(C(=O)C4=CC(=C(C(=C43)F)N5CCCC5)F)C(=O)O

InChI

InChI=1S/C25H22F2N4O4/c1-14-20(24(33)31(28(14)2)15-8-4-3-5-9-15)30-13-17(25(34)35)23(32)16-12-18(26)22(19(27)21(16)30)29-10-6-7-11-29/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,34,35)