2-[1,4-diazepan-1-yl-[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole

Systemtic Name: 2-[1,4-diazepan-1-yl-[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole Openeye Name: 2-[1,4-diazepan-1-yl-[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole CAS Name: 2-[1,4-diazepan-1-yl-[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[1,4-diazepan-1-yl-[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole Traditional Name: 2-[1,4-diazepan-1-yl-[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole Formula: C20H20F3N3S MolecularWeight: 391.45311

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC(=CC=C2)C(F)(F)F)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CNCCN(C1)C(C2=CC(=CC=C2)C(F)(F)F)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20F3N3S/c21-20(22,23)15-6-3-5-14(13-15)18(26-11-4-9-24-10-12-26)19-25-16-7-1-2-8-17(16)27-19/h1-3,5-8,13,18,24H,4,9-12H2