tert-butyl 4-[[2-(2,4-dimethylphenyl)-5-methyl-1,2,3-triazol-4-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-(2,4-dimethylphenyl)-5-methyl-1,2,3-triazol-4-yl]carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-(2,4-dimethylphenyl)-5-methyl-4-triazolyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(2,4-dimethylphenyl)-5-methyltriazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)C)C

InChI

InChI=1S/C21H29N5O3/c1-14-7-8-17(15(2)13-14)26-22-16(3)18(23-26)19(27)24-9-11-25(12-10-24)20(28)29-21(4,5)6/h7-8,13H,9-12H2,1-6H3