N-(2-bromanyl-4-methyl-phenyl)-1-[4-(trifluoromethyl)phenyl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-1-[4-(trifluoromethyl)phenyl]carbonyl-piperidine-4-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-1-[oxo-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-1-[4-(trifluoromethyl)benzoyl]isonipecotamide Formula: C21H20BrF3N2O2 MolecularWeight: 469.29491

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)C(F)(F)F)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)C(F)(F)F)Br

InChI

InChI=1S/C21H20BrF3N2O2/c1-13-2-7-18(17(22)12-13)26-19(28)14-8-10-27(11-9-14)20(29)15-3-5-16(6-4-15)21(23,24)25/h2-7,12,14H,8-11H2,1H3,(H,26,28)