heptyl 2-azanyl-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: heptyl 2-azanyl-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: heptyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(4-ethoxyphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid heptyl ester IUPAC Name: heptyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-p-phenetyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid heptyl ester Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O3/c1-3-5-6-7-10-17-33-26(31)22-23-25(29-21-12-9-8-11-20(21)28-23)30(24(22)27)18-13-15-19(16-14-18)32-4-2/h8-9,11-16H,3-7,10,17,27H2,1-2H3