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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-thienyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-thiophenyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromothiophen-2-yl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-thienyl)-[4-(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=C(C=C2)C(F)(F)F)C3=CC=C(S3)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrF3N2S/c18-15-7-6-14(24-15)16(23-10-1-8-22-9-11-23)12-2-4-13(5-3-12)17(19,20)21/h2-7,16,22H,1,8-11H2