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

Systemtic Name: 2-methylbutyl 2-azanyl-1-[(2-chlorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: 2-methylbutyl 2-amino-1-[(2-chlorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-[(2-chlorophenyl)methyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 2-amino-1-[(2-chlorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(2-chlorobenzyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid 2-methylbutyl ester Formula: C23H23ClN4O2 MolecularWeight: 422.90732

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)CC4=CC=CC=C4Cl)N

Isomeric SMILES

CCC(C)COC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=CC=C4Cl)N

InChI

InChI=1S/C23H23ClN4O2/c1-3-14(2)13-30-23(29)19-20-22(27-18-11-7-6-10-17(18)26-20)28(21(19)25)12-15-8-4-5-9-16(15)24/h4-11,14H,3,12-13,25H2,1-2H3