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

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-thiophen-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-thienyl)methyl]-1,4-diazepane CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-thienyl)methyl]-1,4-diazepane Formula: C17H18ClF3N2S MolecularWeight: 374.85143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClF3N2S/c18-15-3-2-13(17(19,20)21)10-14(15)16(12-4-9-24-11-12)23-7-1-5-22-6-8-23/h2-4,9-11,16,22H,1,5-8H2