ethyl 3-[4-(6-chloranylpyridin-3-yl)carbonylpiperazin-1-yl]quinoxaline-2-carboxylate

Systemtic Name: ethyl 3-[4-(6-chloranylpyridin-3-yl)carbonylpiperazin-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-[(6-chloro-3-pyridinyl)-oxomethyl]-1-piperazinyl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-(6-chloronicotinoyl)piperazino]quinoxaline-2-carboxylic acid ethyl ester Formula: C21H20ClN5O3 MolecularWeight: 425.8682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C21H20ClN5O3/c1-2-30-21(29)18-19(25-16-6-4-3-5-15(16)24-18)26-9-11-27(12-10-26)20(28)14-7-8-17(22)23-13-14/h3-8,13H,2,9-12H2,1H3