N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-(4-fluorophenyl)-3-oxidanylidene-1H-pyrazole-4-carboxamide

Systemtic Name: N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-(4-fluorophenyl)-3-oxidanylidene-1H-pyrazole-4-carboxamide Openeye Name: N-(3-cyano-4-isobutoxy-phenyl)-2-(4-fluorophenyl)-3-oxo-1H-pyrazole-4-carboxamide CAS Name: N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-(4-fluorophenyl)-3-oxo-1H-pyrazole-4-carboxamide IUPAC Name: N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-(4-fluorophenyl)-3-oxo-1H-pyrazole-4-carboxamide Traditional Name: N-(3-cyano-4-isobutoxy-phenyl)-1-(4-fluorophenyl)-5-keto-3-pyrazoline-4-carboxamide Formula: C21H19FN4O3 MolecularWeight: 394.398963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)NC(=O)C2=CNN(C2=O)C3=CC=C(C=C3)F)C#N

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)NC(=O)C2=CNN(C2=O)C3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C21H19FN4O3/c1-13(2)12-29-19-8-5-16(9-14(19)10-23)25-20(27)18-11-24-26(21(18)28)17-6-3-15(22)4-7-17/h3-9,11,13,24H,12H2,1-2H3,(H,25,27)