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

Systemtic Name: 1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[3-pyridyl-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[3-pyridinyl-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[3-pyridyl-[4-(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=CC=C(C=C2)C(F)(F)F)C3=CN=CC=C3

Isomeric SMILES

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

InChI

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