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

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3-(trifluoromethyl)benzamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3-(trifluoromethyl)benzamide Formula: C21H18F3N5O MolecularWeight: 413.39573

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18F3N5O/c22-21(23,24)15-7-4-6-14(12-15)20(30)27-11-5-10-18-17(13-25)19(26)29(28-18)16-8-2-1-3-9-16/h1-4,6-9,12H,5,10-11,26H2,(H,27,30)