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

Systemtic Name: 1-[pyridin-4-yl-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[4-pyridyl-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[pyridin-4-yl-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[pyridin-4-yl-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[4-pyridyl-[2-(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=NC=C2)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=NC=C2)C3=CC=CC=C3C(F)(F)F

InChI

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