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

Systemtic Name: 1-[1-benzothiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Formula: C21H21F3N2S MolecularWeight: 390.46505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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