(phenylmethyl) 2-azanyl-1-(3-chloranyl-4-fluoranyl-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: (phenylmethyl) 2-azanyl-1-(3-chloranyl-4-fluoranyl-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: benzyl 2-amino-1-(3-chloro-4-fluoro-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(3-chloro-4-fluorophenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-1-(3-chloro-4-fluorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(3-chloro-4-fluoro-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid benzyl ester Formula: C24H16ClFN4O2 MolecularWeight: 446.860843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC(=C(C=C5)F)Cl)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC(=C(C=C5)F)Cl)N

InChI

InChI=1S/C24H16ClFN4O2/c25-16-12-15(10-11-17(16)26)30-22(27)20(24(31)32-13-14-6-2-1-3-7-14)21-23(30)29-19-9-5-4-8-18(19)28-21/h1-12H,13,27H2