ethyl 6,7-bis(chloranyl)-3-[4-(2-ethylbutanoyl)piperazin-1-yl]quinoxaline-2-carboxylate

Systemtic Name: ethyl 6,7-bis(chloranyl)-3-[4-(2-ethylbutanoyl)piperazin-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 6,7-dichloro-3-[4-(2-ethylbutanoyl)piperazin-1-yl]quinoxaline-2-carboxylate CAS Name: 6,7-dichloro-3-[4-(2-ethyl-1-oxobutyl)-1-piperazinyl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dichloro-3-[4-(2-ethylbutanoyl)piperazin-1-yl]quinoxaline-2-carboxylate Traditional Name: 6,7-dichloro-3-[4-(2-ethylbutanoyl)piperazino]quinoxaline-2-carboxylic acid ethyl ester Formula: C21H26Cl2N4O3 MolecularWeight: 453.36214

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCN(CC1)C2=NC3=CC(=C(C=C3N=C2C(=O)OCC)Cl)Cl

Isomeric SMILES

CCC(CC)C(=O)N1CCN(CC1)C2=NC3=CC(=C(C=C3N=C2C(=O)OCC)Cl)Cl

InChI

InChI=1S/C21H26Cl2N4O3/c1-4-13(5-2)20(28)27-9-7-26(8-10-27)19-18(21(29)30-6-3)24-16-11-14(22)15(23)12-17(16)25-19/h11-13H,4-10H2,1-3H3