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

Systemtic Name: N-(4-tert-butylphenyl)-2-ethyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide Openeye Name: N-(4-tert-butylphenyl)-2-ethyl-4-[3-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxamide CAS Name: N-(4-tert-butylphenyl)-2-ethyl-4-[3-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxamide IUPAC Name: N-(4-tert-butylphenyl)-2-ethyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide Traditional Name: N-(4-tert-butylphenyl)-2-ethyl-4-[3-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxamide Formula: C23H29F3N4O MolecularWeight: 434.49777

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCN1C(=O)NC2=CC=C(C=C2)C(C)(C)C)C3=C(C=CC=N3)C(F)(F)F

Isomeric SMILES

CCC1CN(CCN1C(=O)NC2=CC=C(C=C2)C(C)(C)C)C3=C(C=CC=N3)C(F)(F)F

InChI

InChI=1S/C23H29F3N4O/c1-5-18-15-29(20-19(23(24,25)26)7-6-12-27-20)13-14-30(18)21(31)28-17-10-8-16(9-11-17)22(2,3)4/h6-12,18H,5,13-15H2,1-4H3,(H,28,31)