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

Systemtic Name: 1-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[3-(trifluoromethyl)benzyl]-1,4-diazepane Formula: C13H17F3N2 MolecularWeight: 258.28269

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

C1CNCCN(C1)CC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C13H17F3N2/c14-13(15,16)12-4-1-3-11(9-12)10-18-7-2-5-17-6-8-18/h1,3-4,9,17H,2,5-8,10H2