N-[(1-phenylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

Systemtic Name: N-[(1-phenylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide Openeye Name: N-[(1-phenylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexanecarboxamide CAS Name: N-[(1-phenyl-4-pyrazolyl)methyl]-3-(trifluoromethyl)-1-cyclohexanecarboxamide IUPAC Name: N-[(1-phenylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide Traditional Name: N-[(1-phenylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexanecarboxamide Formula: C18H20F3N3O MolecularWeight: 351.36611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)C(F)(F)F)C(=O)NCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C1CC(CC(C1)C(F)(F)F)C(=O)NCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H20F3N3O/c19-18(20,21)15-6-4-5-14(9-15)17(25)22-10-13-11-23-24(12-13)16-7-2-1-3-8-16/h1-3,7-8,11-12,14-15H,4-6,9-10H2,(H,22,25)