tert-butyl 4-[4-(3-oxidanylidene-1H-1,2,4-triazol-2-yl)phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(3-oxidanylidene-1H-1,2,4-triazol-2-yl)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(3-oxo-1H-1,2,4-triazol-2-yl)phenyl]piperazine-1-carboxylate CAS Name: 4-[4-(3-oxo-1H-1,2,4-triazol-2-yl)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(3-oxo-1H-1,2,4-triazol-2-yl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(3-keto-1H-1,2,4-triazol-2-yl)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H23N5O3 MolecularWeight: 345.39622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)N3C(=O)N=CN3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)N3C(=O)N=CN3

InChI

InChI=1S/C17H23N5O3/c1-17(2,3)25-16(24)21-10-8-20(9-11-21)13-4-6-14(7-5-13)22-15(23)18-12-19-22/h4-7,12H,8-11H2,1-3H3,(H,18,19,23)