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

Systemtic Name: 2-methylpropyl 2-azanyl-1-(3-chloranyl-4-fluoranyl-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C21H18ClFN4O2 MolecularWeight: 412.844623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=C(C=C4)F)Cl)N

Isomeric SMILES

CC(C)COC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=C(C=C4)F)Cl)N

InChI

InChI=1S/C21H18ClFN4O2/c1-11(2)10-29-21(28)17-18-20(26-16-6-4-3-5-15(16)25-18)27(19(17)24)12-7-8-14(23)13(22)9-12/h3-9,11H,10,24H2,1-2H3