ethyl 4-[4-(5-oxidanylidene-1H-1,2,4-triazol-4-yl)phenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(5-oxidanylidene-1H-1,2,4-triazol-4-yl)phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]piperazine-1-carboxylate CAS Name: 4-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(5-keto-1H-1,2,4-triazol-4-yl)phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C15H19N5O3 MolecularWeight: 317.34306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC=C(C=C2)N3C=NNC3=O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC=C(C=C2)N3C=NNC3=O

InChI

InChI=1S/C15H19N5O3/c1-2-23-15(22)19-9-7-18(8-10-19)12-3-5-13(6-4-12)20-11-16-17-14(20)21/h3-6,11H,2,7-10H2,1H3,(H,17,21)