ethyl 6,7-bis(chloranyl)-3-(4-propanoyl-1,4-diazepan-1-yl)quinoxaline-2-carboxylate

Systemtic Name: ethyl 6,7-bis(chloranyl)-3-(4-propanoyl-1,4-diazepan-1-yl)quinoxaline-2-carboxylate Openeye Name: ethyl 6,7-dichloro-3-(4-propanoyl-1,4-diazepan-1-yl)quinoxaline-2-carboxylate CAS Name: 6,7-dichloro-3-[4-(1-oxopropyl)-1,4-diazepan-1-yl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dichloro-3-(4-propanoyl-1,4-diazepan-1-yl)quinoxaline-2-carboxylate Traditional Name: 6,7-dichloro-3-(4-propionyl-1,4-diazepan-1-yl)quinoxaline-2-carboxylic acid ethyl ester Formula: C19H22Cl2N4O3 MolecularWeight: 425.30898

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCCN(CC1)C2=NC3=CC(=C(C=C3N=C2C(=O)OCC)Cl)Cl

Isomeric SMILES

CCC(=O)N1CCCN(CC1)C2=NC3=CC(=C(C=C3N=C2C(=O)OCC)Cl)Cl

InChI

InChI=1S/C19H22Cl2N4O3/c1-3-16(26)24-6-5-7-25(9-8-24)18-17(19(27)28-4-2)22-14-10-12(20)13(21)11-15(14)23-18/h10-11H,3-9H2,1-2H3