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

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

Isomeric SMILES

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

InChI

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