pentyl 2-azanyl-1-(3-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: pentyl 2-azanyl-1-(3-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: pentyl 2-amino-1-(3-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(3-bromophenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid pentyl ester IUPAC Name: pentyl 2-amino-1-(3-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(3-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid amyl ester Formula: C22H21BrN4O2 MolecularWeight: 453.33174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN4O2/c1-2-3-6-12-29-22(28)18-19-21(26-17-11-5-4-10-16(17)25-19)27(20(18)24)15-9-7-8-14(23)13-15/h4-5,7-11,13H,2-3,6,12,24H2,1H3