1-cyclohexyl-4-[[1-[(2-methylphenyl)methyl]-1,2,3-triazol-4-yl]carbonyl]piperazin-2-one

Systemtic Name: 1-cyclohexyl-4-[[1-[(2-methylphenyl)methyl]-1,2,3-triazol-4-yl]carbonyl]piperazin-2-one Openeye Name: 1-cyclohexyl-4-[1-(o-tolylmethyl)triazole-4-carbonyl]piperazin-2-one CAS Name: 1-cyclohexyl-4-[[1-[(2-methylphenyl)methyl]-4-triazolyl]-oxomethyl]-2-piperazinone IUPAC Name: 1-cyclohexyl-4-[1-[(2-methylphenyl)methyl]triazole-4-carbonyl]piperazin-2-one Traditional Name: 1-cyclohexyl-4-[1-(2-methylbenzyl)triazole-4-carbonyl]piperazin-2-one Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(N=N2)C(=O)N3CCN(C(=O)C3)C4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(N=N2)C(=O)N3CCN(C(=O)C3)C4CCCCC4

InChI

InChI=1S/C21H27N5O2/c1-16-7-5-6-8-17(16)13-25-14-19(22-23-25)21(28)24-11-12-26(20(27)15-24)18-9-3-2-4-10-18/h5-8,14,18H,2-4,9-13,15H2,1H3