hexyl 2-azanyl-1-(3,5-dimethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: hexyl 2-azanyl-1-(3,5-dimethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: hexyl 2-amino-1-(3,5-dimethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(3,5-dimethoxyphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid hexyl ester IUPAC Name: hexyl 2-amino-1-(3,5-dimethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(3,5-dimethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid hexyl ester Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O4/c1-4-5-6-9-12-33-25(30)21-22-24(28-20-11-8-7-10-19(20)27-22)29(23(21)26)16-13-17(31-2)15-18(14-16)32-3/h7-8,10-11,13-15H,4-6,9,12,26H2,1-3H3