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

Systemtic Name: tert-butyl 4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C19H25N5O3/c1-19(2,3)27-18(26)23-10-8-22(9-11-23)17(25)16-6-4-15(5-7-16)12-24-14-20-13-21-24/h4-7,13-14H,8-12H2,1-3H3