N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide

Systemtic Name: N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide CAS Name: N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-6-(trifluoromethyl)-3-pyridinecarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-6-(trifluoromethyl)nicotinamide Formula: C24H23F3N4O MolecularWeight: 440.46083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CN=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CN=C(C=C4)C(F)(F)F

InChI

InChI=1S/C24H23F3N4O/c25-24(26,27)22-11-6-19(16-28-22)23(32)29-20-7-9-21(10-8-20)31-14-12-30(13-15-31)17-18-4-2-1-3-5-18/h1-11,16H,12-15,17H2,(H,29,32)