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

Systemtic Name: 1-[1-benzothiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-2-yl-[2-(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=CC=C2C(F)(F)F)C3=CC4=CC=CC=C4S3

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=CC=C2C(F)(F)F)C3=CC4=CC=CC=C4S3

InChI

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