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

Systemtic Name: tert-butyl 4-[(1,5-diphenyl-1,2,4-triazol-3-yl)carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(1,5-diphenyl-1,2,4-triazol-3-yl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H27N5O3/c1-24(2,3)32-23(31)28-16-14-27(15-17-28)22(30)20-25-21(18-10-6-4-7-11-18)29(26-20)19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3