1-[(5-bromanylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-thienyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-thiophenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromothiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-thienyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Formula: C17H18BrF3N2S MolecularWeight: 419.30243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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