5-[3-cyano-4-(2-methylpropoxy)phenyl]-2-(4-fluorophenyl)-3-oxidanylidene-1H-pyrazole-4-carboxamide

Systemtic Name: 5-[3-cyano-4-(2-methylpropoxy)phenyl]-2-(4-fluorophenyl)-3-oxidanylidene-1H-pyrazole-4-carboxamide Openeye Name: 5-(3-cyano-4-isobutoxy-phenyl)-2-(4-fluorophenyl)-3-oxo-1H-pyrazole-4-carboxamide CAS Name: 5-[3-cyano-4-(2-methylpropoxy)phenyl]-2-(4-fluorophenyl)-3-oxo-1H-pyrazole-4-carboxamide IUPAC Name: 5-[3-cyano-4-(2-methylpropoxy)phenyl]-2-(4-fluorophenyl)-3-oxo-1H-pyrazole-4-carboxamide Traditional Name: 3-(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)C2=C(C(=O)N(N2)C3=CC=C(C=C3)F)C(=O)N)C#N

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C2=C(C(=O)N(N2)C3=CC=C(C=C3)F)C(=O)N)C#N

InChI

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