N-[3-cyano-4-(2-methylpropyl)phenyl]-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxamide

Systemtic Name: N-[3-cyano-4-(2-methylpropyl)phenyl]-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxamide Openeye Name: N-(3-cyano-4-isobutyl-phenyl)-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxamide CAS Name: N-[3-cyano-4-(2-methylpropyl)phenyl]-1-(4-fluorophenyl)-3-methyl-4-pyrazolecarboxamide IUPAC Name: N-[3-cyano-4-(2-methylpropyl)phenyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide Traditional Name: N-(3-cyano-4-isobutyl-phenyl)-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxamide Formula: C22H21FN4O MolecularWeight: 376.426743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(=O)NC2=CC(=C(C=C2)CC(C)C)C#N)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C=C1C(=O)NC2=CC(=C(C=C2)CC(C)C)C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H21FN4O/c1-14(2)10-16-4-7-19(11-17(16)12-24)25-22(28)21-13-27(26-15(21)3)20-8-5-18(23)6-9-20/h4-9,11,13-14H,10H2,1-3H3,(H,25,28)