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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19F3N2S/c18-17(19,20)15-4-2-13(3-5-15)16(14-6-11-23-12-14)22-9-1-7-21-8-10-22/h2-6,11-12,16,21H,1,7-10H2