2-methoxy-1-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-methoxy-1-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]ethanone Openeye Name: 2-methoxy-1-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-methoxy-1-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-methoxy-1-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]ethanone Traditional Name: 2-methoxy-1-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]ethanone Formula: C14H18F3N3O2 MolecularWeight: 317.30683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1CCCN(CC1)C2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

COCC(=O)N1CCCN(CC1)C2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C14H18F3N3O2/c1-22-10-13(21)20-6-2-5-19(7-8-20)12-4-3-11(9-18-12)14(15,16)17/h3-4,9H,2,5-8,10H2,1H3