N-(4-butylphenyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide

Systemtic Name: N-(4-butylphenyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide Openeye Name: N-(4-butylphenyl)-4-[3-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxamide CAS Name: N-(4-butylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxamide IUPAC Name: N-(4-butylphenyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide Traditional Name: N-(4-butylphenyl)-4-[3-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxamide Formula: C21H25F3N4O MolecularWeight: 406.44461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=CC=N3)C(F)(F)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=CC=N3)C(F)(F)F

InChI

InChI=1S/C21H25F3N4O/c1-2-3-5-16-7-9-17(10-8-16)26-20(29)28-14-12-27(13-15-28)19-18(21(22,23)24)6-4-11-25-19/h4,6-11H,2-3,5,12-15H2,1H3,(H,26,29)