2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine; hydrochloride

Systemtic Name: 2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine; hydrochloride Openeye Name: 2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine; hydrochloride CAS Name: 2-methyl-4-(4-methyl-1-piperazinyl)-5H-thieno[3,2-c][1,5]benzodiazepine; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine; hydrochloride IUPAC Name: 2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine; hydrochloride Traditional Name: 2-methyl-4-(4-methylpiperazino)-5H-thieno[3,2-c][1,5]benzodiazepine; methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amine; hydrochloride Formula: C34H39ClF3N5OS MolecularWeight: 658.21957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(NC3=CC=CC=C3N=C2S1)N4CCN(CC4)C.CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl

Isomeric SMILES

CC1=CC2=C(NC3=CC=CC=C3N=C2S1)N4CCN(CC4)C.CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl

InChI

InChI=1S/C17H18F3NO.C17H20N4S.ClH/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12;/h2-10,16,21H,11-12H2,1H3;3-6,11,18H,7-10H2,1-2H3;1H