heptyl 2-azanyl-1-(4-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: heptyl 2-azanyl-1-(4-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: heptyl 2-amino-1-(4-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(4-bromophenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid heptyl ester IUPAC Name: heptyl 2-amino-1-(4-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(4-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid heptyl ester Formula: C24H25BrN4O2 MolecularWeight: 481.3849

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25BrN4O2/c1-2-3-4-5-8-15-31-24(30)20-21-23(28-19-10-7-6-9-18(19)27-21)29(22(20)26)17-13-11-16(25)12-14-17/h6-7,9-14H,2-5,8,15,26H2,1H3