1-(1-methylbenzotriazol-5-yl)carbonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(1-methylbenzotriazol-5-yl)carbonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(1-methylbenzotriazole-5-carbonyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: 1-[(1-methyl-5-benzotriazolyl)-oxomethyl]-N-[4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(1-methylbenzotriazole-5-carbonyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(1-methylbenzotriazole-5-carbonyl)-N-[4-(trifluoromethyl)phenyl]isonipecotamide Formula: C21H20F3N5O2 MolecularWeight: 431.41101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(F)(F)F)N=N1

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(F)(F)F)N=N1

InChI

InChI=1S/C21H20F3N5O2/c1-28-18-7-2-14(12-17(18)26-27-28)20(31)29-10-8-13(9-11-29)19(30)25-16-5-3-15(4-6-16)21(22,23)24/h2-7,12-13H,8-11H2,1H3,(H,25,30)