1-[4-(2,2-dimethylpropanoyl)-3-methyl-piperazin-1-yl]-5-[[4-(4-methoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one

Systemtic Name: 1-[4-(2,2-dimethylpropanoyl)-3-methyl-piperazin-1-yl]-5-[[4-(4-methoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Openeye Name: 5-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(2,2-dimethylpropanoyl)-3-methyl-piperazin-1-yl]pentan-1-one CAS Name: 1-[4-(2,2-dimethyl-1-oxopropyl)-3-methyl-1-piperazinyl]-5-[[4-(4-methoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-pentanone IUPAC Name: 5-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(2,2-dimethylpropanoyl)-3-methylpiperazin-1-yl]pentan-1-one Traditional Name: 5-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(3-methyl-4-pivaloyl-piperazino)pentan-1-one Formula: C31H41N5O3S MolecularWeight: 563.75394

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(C)(C)C)C(=O)CCCCSC2=NN=C(N2C3=CC=C(C=C3)OC)CC4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1C(=O)C(C)(C)C)C(=O)CCCCSC2=NN=C(N2C3=CC=C(C=C3)OC)CC4=CC=CC=C4

InChI

InChI=1S/C31H41N5O3S/c1-23-22-34(18-19-35(23)29(38)31(2,3)4)28(37)13-9-10-20-40-30-33-32-27(21-24-11-7-6-8-12-24)36(30)25-14-16-26(39-5)17-15-25/h6-8,11-12,14-17,23H,9-10,13,18-22H2,1-5H3