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

Systemtic Name: ethyl 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-7-pyrrolidin-1-yl-quinoline-3-carboxylate Openeye Name: ethyl 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-6,8-difluoro-4-oxo-7-pyrrolidin-1-yl-quinoline-3-carboxylate CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-6,8-difluoro-4-oxo-7-(1-pyrrolidinyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6,8-difluoro-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylate 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 ethyl ester Formula: C27H26F2N4O4 MolecularWeight: 508.516546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCCC3)F)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCCC3)F)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C27H26F2N4O4/c1-4-37-27(36)19-15-32(22-16(2)30(3)33(26(22)35)17-10-6-5-7-11-17)23-18(25(19)34)14-20(28)24(21(23)29)31-12-8-9-13-31/h5-7,10-11,14-15H,4,8-9,12-13H2,1-3H3