hexyl 2-azanyl-1-octyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: hexyl 2-azanyl-1-octyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: hexyl 2-amino-1-octyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-octyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid hexyl ester IUPAC Name: hexyl 2-amino-1-octylpyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-octyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid hexyl ester Formula: C25H36N4O2 MolecularWeight: 424.57894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCCCCCC)N

Isomeric SMILES

CCCCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCCCCCC)N

InChI

InChI=1S/C25H36N4O2/c1-3-5-7-9-10-13-17-29-23(26)21(25(30)31-18-14-8-6-4-2)22-24(29)28-20-16-12-11-15-19(20)27-22/h11-12,15-16H,3-10,13-14,17-18,26H2,1-2H3