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

Systemtic Name: 1-[(3-bromophenyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[(3-bromophenyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[(3-bromophenyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(3-bromophenyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[(3-bromophenyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Formula: C19H20BrF3N2 MolecularWeight: 413.27471

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrF3N2/c20-17-4-1-3-15(13-17)18(25-11-2-9-24-10-12-25)14-5-7-16(8-6-14)19(21,22)23/h1,3-8,13,18,24H,2,9-12H2