N-[3-cyano-4-(diethylamino)phenyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide

Systemtic Name: N-[3-cyano-4-(diethylamino)phenyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide Openeye Name: N-[3-cyano-4-(diethylamino)phenyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide CAS Name: N-[3-cyano-4-(diethylamino)phenyl]-1-(4-fluorophenyl)-5-methyl-4-pyrazolecarboxamide IUPAC Name: N-[3-cyano-4-(diethylamino)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide Traditional Name: N-[3-cyano-4-(diethylamino)phenyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide Formula: C22H22FN5O MolecularWeight: 391.441383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FN5O/c1-4-27(5-2)21-11-8-18(12-16(21)13-24)26-22(29)20-14-25-28(15(20)3)19-9-6-17(23)7-10-19/h6-12,14H,4-5H2,1-3H3,(H,26,29)