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

Systemtic Name: 1-[bis[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[bis[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[bis[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[bis[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[bis[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Formula: C20H20F6N2 MolecularWeight: 402.376619

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC=CC=C2C(F)(F)F)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=CC=C2C(F)(F)F)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H20F6N2/c21-19(22,23)16-8-3-1-6-14(16)18(28-12-5-10-27-11-13-28)15-7-2-4-9-17(15)20(24,25)26/h1-4,6-9,18,27H,5,10-13H2