3-methylbutyl 2-azanyl-1-(3,4-dichlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: 3-methylbutyl 2-azanyl-1-(3,4-dichlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: isopentyl 2-amino-1-(3,4-dichlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(3,4-dichlorophenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-amino-1-(3,4-dichlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(3,4-dichlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid isoamyl ester Formula: C22H20Cl2N4O2 MolecularWeight: 443.3258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=C(C=C4)Cl)Cl)N

Isomeric SMILES

CC(C)CCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=C(C=C4)Cl)Cl)N

InChI

InChI=1S/C22H20Cl2N4O2/c1-12(2)9-10-30-22(29)18-19-21(27-17-6-4-3-5-16(17)26-19)28(20(18)25)13-7-8-14(23)15(24)11-13/h3-8,11-12H,9-10,25H2,1-2H3