N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2-[3-(trifluoromethyl)phenyl]acetamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-2-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2-[3-(trifluoromethyl)phenyl]acetamide Formula: C22H20F3N5O MolecularWeight: 427.42231

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC(=O)CC3=CC(=CC=C3)C(F)(F)F)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC(=O)CC3=CC(=CC=C3)C(F)(F)F)C#N)N

InChI

InChI=1S/C22H20F3N5O/c23-22(24,25)16-7-4-6-15(12-16)13-20(31)28-11-5-10-19-18(14-26)21(27)30(29-19)17-8-2-1-3-9-17/h1-4,6-9,12H,5,10-11,13,27H2,(H,28,31)