1-[3-methyl-4-(4-pentylphenyl)carbonyl-piperazin-1-yl]-5-[[5-(phenylmethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one

Systemtic Name: 1-[3-methyl-4-(4-pentylphenyl)carbonyl-piperazin-1-yl]-5-[[5-(phenylmethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Openeye Name: 5-[[5-benzyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(4-pentylbenzoyl)piperazin-1-yl]pentan-1-one CAS Name: 1-[3-methyl-4-[oxo-(4-pentylphenyl)methyl]-1-piperazinyl]-5-[[5-(phenylmethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]thio]-1-pentanone IUPAC Name: 5-[[5-benzyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(4-pentylbenzoyl)piperazin-1-yl]pentan-1-one Traditional Name: 1-[4-(4-amylbenzoyl)-3-methyl-piperazino]-5-[[5-benzyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]thio]pentan-1-one Formula: C38H44F3N5O2S MolecularWeight: 691.84847

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)CCCCSC3=NN=C(N3C4=CC=CC(=C4)C(F)(F)F)CC5=CC=CC=C5

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)CCCCSC3=NN=C(N3C4=CC=CC(=C4)C(F)(F)F)CC5=CC=CC=C5

InChI

InChI=1S/C38H44F3N5O2S/c1-3-4-6-12-29-18-20-31(21-19-29)36(48)45-23-22-44(27-28(45)2)35(47)17-9-10-24-49-37-43-42-34(25-30-13-7-5-8-14-30)46(37)33-16-11-15-32(26-33)38(39,40)41/h5,7-8,11,13-16,18-21,26,28H,3-4,6,9-10,12,17,22-25,27H2,1-2H3