[2-[[(4-methylphenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: [2-[[(4-methylphenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [4-(4-nitrophenyl)piperazin-1-yl]-[2-[[p-tolylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]thiazol-4-yl]methanone CAS Name: [2-[[(4-methylphenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-4-thiazolyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [2-[[(4-methylphenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [2-[[(4-methylbenzyl)-[3-(trifluoromethyl)benzyl]amino]methyl]thiazol-4-yl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C31H30F3N5O3S MolecularWeight: 609.66181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2=CC(=CC=C2)C(F)(F)F)CC3=NC(=CS3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=CC(=CC=C2)C(F)(F)F)CC3=NC(=CS3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H30F3N5O3S/c1-22-5-7-23(8-6-22)18-36(19-24-3-2-4-25(17-24)31(32,33)34)20-29-35-28(21-43-29)30(40)38-15-13-37(14-16-38)26-9-11-27(12-10-26)39(41)42/h2-12,17,21H,13-16,18-20H2,1H3