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

Systemtic Name: 1-[thiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[3-thienyl-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[3-thiophenyl-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[thiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[3-thienyl-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Formula: C17H19F3N2S MolecularWeight: 340.40637

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CSC=C2)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CNCCN(C1)C(C2=CSC=C2)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C17H19F3N2S/c18-17(19,20)15-5-2-1-4-14(15)16(13-6-11-23-12-13)22-9-3-7-21-8-10-22/h1-2,4-6,11-12,16,21H,3,7-10H2