3-methylbutyl 2-azanyl-1-(3,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: 3-methylbutyl 2-azanyl-1-(3,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: isopentyl 2-amino-1-(3,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(3,5-dimethylphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-amino-1-(3,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(3,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid isoamyl ester Formula: C24H26N4O2 MolecularWeight: 402.48884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)OCCC(C)C)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)OCCC(C)C)N)C

InChI

InChI=1S/C24H26N4O2/c1-14(2)9-10-30-24(29)20-21-23(27-19-8-6-5-7-18(19)26-21)28(22(20)25)17-12-15(3)11-16(4)13-17/h5-8,11-14H,9-10,25H2,1-4H3