ethyl 4-[[1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-phenyl-1-(p-tolyl)-1,2,4-triazole-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[5-phenyl-1-(p-tolyl)-1,2,4-triazole-3-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O3/c1-3-31-23(30)27-15-13-26(14-16-27)22(29)20-24-21(18-7-5-4-6-8-18)28(25-20)19-11-9-17(2)10-12-19/h4-12H,3,13-16H2,1-2H3