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

Systemtic Name: butan-2-yl 2-azanyl-1-(4-butylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: sec-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 butan-2-yl ester IUPAC Name: butan-2-yl 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 sec-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)CC)N

Isomeric SMILES

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

InChI

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