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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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