tert-butyl 2-azanyl-1-(4-bromanyl-3-methyl-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: tert-butyl 2-azanyl-1-(4-bromanyl-3-methyl-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: tert-butyl 2-amino-1-(4-bromo-3-methyl-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(4-bromo-3-methylphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-1-(4-bromo-3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(4-bromo-3-methyl-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid tert-butyl ester Formula: C22H21BrN4O2 MolecularWeight: 453.33174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)OC(C)(C)C)N)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)OC(C)(C)C)N)Br

InChI

InChI=1S/C22H21BrN4O2/c1-12-11-13(9-10-14(12)23)27-19(24)17(21(28)29-22(2,3)4)18-20(27)26-16-8-6-5-7-15(16)25-18/h5-11H,24H2,1-4H3