tert-butyl 2-azanyl-1-(4-butylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: tert-butyl 2-azanyl-1-(4-butylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: tert-butyl 2-amino-1-(4-butylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(4-butylphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-1-(4-butylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(4-butylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid tert-butyl ester Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)OC(C)(C)C)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C25H28N4O2/c1-5-6-9-16-12-14-17(15-13-16)29-22(26)20(24(30)31-25(2,3)4)21-23(29)28-19-11-8-7-10-18(19)27-21/h7-8,10-15H,5-6,9,26H2,1-4H3