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

Systemtic Name: 3-methylbutyl 2-azanyl-1-(3-chlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: isopentyl 2-amino-1-(3-chlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(3-chlorophenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-amino-1-(3-chlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(3-chlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid isoamyl ester Formula: C22H21ClN4O2 MolecularWeight: 408.88074

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(=CC=C4)Cl)N

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O2/c1-13(2)10-11-29-22(28)18-19-21(26-17-9-4-3-8-16(17)25-19)27(20(18)24)15-7-5-6-14(23)12-15/h3-9,12-13H,10-11,24H2,1-2H3