hexyl 2-azanyl-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: hexyl 2-azanyl-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: hexyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(4-ethoxyphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid hexyl ester IUPAC Name: hexyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-p-phenetyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid hexyl ester Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)OCC)N

Isomeric SMILES

CCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)OCC)N

InChI

InChI=1S/C25H28N4O3/c1-3-5-6-9-16-32-25(30)21-22-24(28-20-11-8-7-10-19(20)27-22)29(23(21)26)17-12-14-18(15-13-17)31-4-2/h7-8,10-15H,3-6,9,16,26H2,1-2H3