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

Systemtic Name: ethyl 6,7-bis(chloranyl)-3-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)quinoxaline-2-carboxylate Openeye Name: ethyl 6,7-dichloro-3-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate CAS Name: 6,7-dichloro-3-[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dichloro-3-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Traditional Name: 6,7-dichloro-3-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylic acid ethyl ester Formula: C20H22Cl2N4O3 MolecularWeight: 437.31968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=CC(=C(C=C2N=C1N3CCCN(CC3)C(=O)C4CC4)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=NC2=CC(=C(C=C2N=C1N3CCCN(CC3)C(=O)C4CC4)Cl)Cl

InChI

InChI=1S/C20H22Cl2N4O3/c1-2-29-20(28)17-18(24-16-11-14(22)13(21)10-15(16)23-17)25-6-3-7-26(9-8-25)19(27)12-4-5-12/h10-12H,2-9H2,1H3