tert-butyl 4-[4-(1,2,4-triazol-1-yl)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(1,2,4-triazol-1-yl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(1,2,4-triazol-1-yl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(1,2,4-triazol-1-yl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(1,2,4-triazol-1-yl)benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C18H23N5O3/c1-18(2,3)26-17(25)22-10-8-21(9-11-22)16(24)14-4-6-15(7-5-14)23-13-19-12-20-23/h4-7,12-13H,8-11H2,1-3H3