1-[pyridin-2-yl-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane

Systemtic Name: 1-[pyridin-2-yl-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[2-pyridyl-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[2-pyridinyl-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[pyridin-2-yl-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[2-pyridyl-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Formula: C18H20F3N3 MolecularWeight: 335.36671

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC=CC=N3

Isomeric SMILES

C1CNCCN(C1)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC=CC=N3

InChI

InChI=1S/C18H20F3N3/c19-18(20,21)15-6-3-5-14(13-15)17(16-7-1-2-9-23-16)24-11-4-8-22-10-12-24/h1-3,5-7,9,13,17,22H,4,8,10-12H2