N-[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]-6-methyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]-6-methyl-pyridine-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]-6-methyl-pyridine-3-carboxamide CAS Name: N-[2-(1-azepanyl)-5-(trifluoromethyl)phenyl]-6-methyl-3-pyridinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide Traditional Name: N-[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]-6-methyl-nicotinamide Formula: C20H22F3N3O MolecularWeight: 377.40339

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCCC3

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCCC3

InChI

InChI=1S/C20H22F3N3O/c1-14-6-7-15(13-24-14)19(27)25-17-12-16(20(21,22)23)8-9-18(17)26-10-4-2-3-5-11-26/h6-9,12-13H,2-5,10-11H2,1H3,(H,25,27)