[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl] 4-(4-acetylpiperazin-1-yl)-4-oxo-butanoate CAS Name: 4-(4-acetyl-1-piperazinyl)-4-oxobutanoic acid [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 4-(4-acetylpiperazin-1-yl)-4-oxobutanoate Traditional Name: 4-(4-acetylpiperazino)-4-keto-butyric acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl] ester Formula: C17H21ClN4O5 MolecularWeight: 396.82544

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CCC(=O)OCC(=O)NC2=C(N=CC=C2)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CCC(=O)OCC(=O)NC2=C(N=CC=C2)Cl

InChI

InChI=1S/C17H21ClN4O5/c1-12(23)21-7-9-22(10-8-21)15(25)4-5-16(26)27-11-14(24)20-13-3-2-6-19-17(13)18/h2-3,6H,4-5,7-11H2,1H3,(H,20,24)