[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-(4-acetyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-(4-acetylpiperazino)-2-keto-ethyl] ester Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCN(CC3)C(=O)C)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCN(CC3)C(=O)C)N=N1

InChI

InChI=1S/C17H21N5O4/c1-3-22-15-5-4-13(10-14(15)18-19-22)17(25)26-11-16(24)21-8-6-20(7-9-21)12(2)23/h4-5,10H,3,6-9,11H2,1-2H3