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

Systemtic Name: heptyl 2-azanyl-1-(3-ethanoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: heptyl 1-(3-acetylphenyl)-2-amino-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 1-(3-acetylphenyl)-2-amino-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid heptyl ester IUPAC Name: heptyl 1-(3-acetylphenyl)-2-aminopyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 1-(3-acetylphenyl)-2-amino-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid heptyl ester Formula: C26H28N4O3 MolecularWeight: 444.52552

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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)C(=O)C)N

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O3/c1-3-4-5-6-9-15-33-26(32)22-23-25(29-21-14-8-7-13-20(21)28-23)30(24(22)27)19-12-10-11-18(16-19)17(2)31/h7-8,10-14,16H,3-6,9,15,27H2,1-2H3