heptyl 2-azanyl-1-(2-methoxy-5-methyl-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: heptyl 2-azanyl-1-(2-methoxy-5-methyl-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: heptyl 2-amino-1-(2-methoxy-5-methyl-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(2-methoxy-5-methylphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid heptyl ester IUPAC Name: heptyl 2-amino-1-(2-methoxy-5-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(2-methoxy-5-methyl-phenyl)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=C(C=CC(=C4)C)OC)N

Isomeric SMILES

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

InChI

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