N-[(1R,2S)-2-methylcyclohexyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide

Systemtic Name: N-[(1R,2S)-2-methylcyclohexyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide Openeye Name: N-[(1R,2S)-2-methylcyclohexyl]-4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxamide CAS Name: N-[(1R,2S)-2-methylcyclohexyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxamide IUPAC Name: N-[(1R,2S)-2-methylcyclohexyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide Traditional Name: N-[(1R,2S)-2-methylcyclohexyl]-4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxamide Formula: C18H25F3N4O MolecularWeight: 370.41251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H25F3N4O/c1-13-4-2-3-5-15(13)23-17(26)25-10-8-24(9-11-25)16-7-6-14(12-22-16)18(19,20)21/h6-7,12-13,15H,2-5,8-11H2,1H3,(H,23,26)/t13-,15+/m0/s1