ethyl 3-[4-(3-chloranyl-4-fluoranyl-phenyl)carbonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate

Systemtic Name: ethyl 3-[4-(3-chloranyl-4-fluoranyl-phenyl)carbonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(3-chloro-4-fluoro-benzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-[(3-chloro-4-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(3-chloro-4-fluorobenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-(3-chloro-4-fluoro-benzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylic acid ethyl ester Formula: C23H22ClFN4O3 MolecularWeight: 456.897183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C23H22ClFN4O3/c1-2-32-23(31)20-21(27-19-7-4-3-6-18(19)26-20)28-10-5-11-29(13-12-28)22(30)15-8-9-17(25)16(24)14-15/h3-4,6-9,14H,2,5,10-13H2,1H3