N-(2-methoxy-5-nitro-phenyl)-1-[3-(trifluoromethyl)pyridin-2-yl]piperidine-3-carboxamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-1-[3-(trifluoromethyl)pyridin-2-yl]piperidine-3-carboxamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-1-[3-(trifluoromethyl)-2-pyridyl]piperidine-3-carboxamide CAS Name: N-(2-methoxy-5-nitrophenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3-piperidinecarboxamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-1-[3-(trifluoromethyl)pyridin-2-yl]piperidine-3-carboxamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-1-[3-(trifluoromethyl)-2-pyridyl]nipecotamide Formula: C19H19F3N4O4 MolecularWeight: 424.37377

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCCN(C2)C3=C(C=CC=N3)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCCN(C2)C3=C(C=CC=N3)C(F)(F)F

InChI

InChI=1S/C19H19F3N4O4/c1-30-16-7-6-13(26(28)29)10-15(16)24-18(27)12-4-3-9-25(11-12)17-14(19(20,21)22)5-2-8-23-17/h2,5-8,10,12H,3-4,9,11H2,1H3,(H,24,27)