N-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-bromophenyl)methyl]-6-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-bromophenyl)methyl]-6-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-bromophenyl)methyl]-6-oxo-pyridine-3-carboxamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-bromophenyl)methyl]-6-oxo-3-pyridinecarboxamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-bromophenyl)methyl]-6-oxopyridine-3-carboxamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-bromobenzyl)-6-keto-nicotinamide Formula: C21H13BrF6N2O2 MolecularWeight: 519.234539

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C=CC2=O)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)Br

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C=CC2=O)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)Br

InChI

InChI=1S/C21H13BrF6N2O2/c22-16-4-1-12(2-5-16)10-30-11-13(3-6-18(30)31)19(32)29-17-8-14(20(23,24)25)7-15(9-17)21(26,27)28/h1-9,11H,10H2,(H,29,32)