hexyl 2-azanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: hexyl 2-azanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: hexyl 2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid hexyl ester IUPAC Name: hexyl 2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid hexyl ester Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC5=C(C=C4)OCCO5)N

Isomeric SMILES

CCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC5=C(C=C4)OCCO5)N

InChI

InChI=1S/C25H26N4O4/c1-2-3-4-7-12-33-25(30)21-22-24(28-18-9-6-5-8-17(18)27-22)29(23(21)26)16-10-11-19-20(15-16)32-14-13-31-19/h5-6,8-11,15H,2-4,7,12-14,26H2,1H3