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

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

Isomeric SMILES

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

InChI

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