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

Systemtic Name: pentyl 2-azanyl-1-(4-bromanyl-3-methyl-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C23H23BrN4O2 MolecularWeight: 467.35832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=C(C=C4)Br)C)N

Isomeric SMILES

CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=C(C=C4)Br)C)N

InChI

InChI=1S/C23H23BrN4O2/c1-3-4-7-12-30-23(29)19-20-22(27-18-9-6-5-8-17(18)26-20)28(21(19)25)15-10-11-16(24)14(2)13-15/h5-6,8-11,13H,3-4,7,12,25H2,1-2H3