1-[(5-bromanylthiophen-2-yl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-thienyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-thiophenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-thienyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Formula: C17H18BrF3N2S MolecularWeight: 419.30243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC=CC=C2C(F)(F)F)C3=CC=C(S3)Br

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=CC=C2C(F)(F)F)C3=CC=C(S3)Br

InChI

InChI=1S/C17H18BrF3N2S/c18-15-7-6-14(24-15)16(23-10-3-8-22-9-11-23)12-4-1-2-5-13(12)17(19,20)21/h1-2,4-7,16,22H,3,8-11H2