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

Systemtic Name: 1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-thiophen-2-yl-methyl]-1,4-diazepane Openeye Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]-1,4-diazepane IUPAC Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]-1,4-diazepane Traditional Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2-thienyl)methyl]-1,4-diazepane Formula: C17H18ClF3N2S MolecularWeight: 374.85143

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)C3=CC=CS3

Isomeric SMILES

C1CNCCN(C1)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)C3=CC=CS3

InChI

InChI=1S/C17H18ClF3N2S/c18-14-5-4-12(11-13(14)17(19,20)21)16(15-3-1-10-24-15)23-8-2-6-22-7-9-23/h1,3-5,10-11,16,22H,2,6-9H2