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

Systemtic Name: heptyl 2-azanyl-1-[(2-chlorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: heptyl 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 heptyl ester IUPAC Name: heptyl 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 heptyl ester Formula: C25H27ClN4O2 MolecularWeight: 450.96048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN4O2/c1-2-3-4-5-10-15-32-25(31)21-22-24(29-20-14-9-8-13-19(20)28-22)30(23(21)27)16-17-11-6-7-12-18(17)26/h6-9,11-14H,2-5,10,15-16,27H2,1H3