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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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