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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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