[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-[[(4-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-[[(4-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-[[(4-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]thiazol-4-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-[[(4-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-4-thiazolyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-[[(4-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]methanone Traditional Name: [2-[[(4-fluorobenzyl)-[3-(trifluoromethyl)benzyl]amino]methyl]thiazol-4-yl]-(4-piperonylpiperazino)methanone Formula: C32H30F4N4O3S MolecularWeight: 626.664213

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CSC(=N4)CN(CC5=CC=C(C=C5)F)CC6=CC(=CC=C6)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CSC(=N4)CN(CC5=CC=C(C=C5)F)CC6=CC(=CC=C6)C(F)(F)F

InChI

InChI=1S/C32H30F4N4O3S/c33-26-7-4-22(5-8-26)16-39(18-23-2-1-3-25(14-23)32(34,35)36)19-30-37-27(20-44-30)31(41)40-12-10-38(11-13-40)17-24-6-9-28-29(15-24)43-21-42-28/h1-9,14-15,20H,10-13,16-19,21H2