[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-(4-acetyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-(4-acetylpiperazino)-2-keto-ethyl] ester Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H17N3O4/c1-12(20)18-6-8-19(9-7-18)15(21)11-23-16(22)14-4-2-13(10-17)3-5-14/h2-5H,6-9,11H2,1H3