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

Systemtic Name: 2-methylbutyl 2-azanyl-1-(3-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: 2-methylbutyl 2-amino-1-(3-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(3-bromophenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 2-amino-1-(3-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(3-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid 2-methylbutyl ester Formula: C22H21BrN4O2 MolecularWeight: 453.33174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=CC=C4)Br)N

Isomeric SMILES

CCC(C)COC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=CC=C4)Br)N

InChI

InChI=1S/C22H21BrN4O2/c1-3-13(2)12-29-22(28)18-19-21(26-17-10-5-4-9-16(17)25-19)27(20(18)24)15-8-6-7-14(23)11-15/h4-11,13H,3,12,24H2,1-2H3