N-(5-methyl-1,2-oxazol-3-yl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(5-methylisoxazol-3-yl)-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carboxamide CAS Name: N-(5-methyl-3-isoxazolyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-(5-methylisoxazol-3-yl)-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carboxamide Formula: C16H18F3N5O2 MolecularWeight: 369.34163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)N2CCCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC(=NO1)NC(=O)N2CCCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C16H18F3N5O2/c1-11-9-13(22-26-11)21-15(25)24-6-2-5-23(7-8-24)14-4-3-12(10-20-14)16(17,18)19/h3-4,9-10H,2,5-8H2,1H3,(H,21,22,25)