ethyl 4-[4-(3-methyl-5-oxidanylidene-1H-1,2,4-triazol-4-yl)phenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(3-methyl-5-oxidanylidene-1H-1,2,4-triazol-4-yl)phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)phenyl]piperazine-1-carboxylate CAS Name: 4-[4-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)phenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(5-keto-3-methyl-1H-1,2,4-triazol-4-yl)phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O3/c1-3-24-16(23)20-10-8-19(9-11-20)13-4-6-14(7-5-13)21-12(2)17-18-15(21)22/h4-7H,3,8-11H2,1-2H3,(H,18,22)