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

Systemtic Name: 1-[1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Formula: C21H21F3N2S MolecularWeight: 390.46505

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC=C(C=C2)C(F)(F)F)C3=CSC4=CC=CC=C43

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=C(C=C2)C(F)(F)F)C3=CSC4=CC=CC=C43

InChI

InChI=1S/C21H21F3N2S/c22-21(23,24)16-8-6-15(7-9-16)20(26-12-3-10-25-11-13-26)18-14-27-19-5-2-1-4-17(18)19/h1-2,4-9,14,20,25H,3,10-13H2