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

Systemtic Name: nonyl 2-azanyl-1-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: nonyl 2-amino-1-isopentyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(3-methylbutyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid nonyl ester IUPAC Name: nonyl 2-amino-1-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-isoamyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid nonyl ester Formula: C25H36N4O2 MolecularWeight: 424.57894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCC(C)C)N

Isomeric SMILES

CCCCCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCC(C)C)N

InChI

InChI=1S/C25H36N4O2/c1-4-5-6-7-8-9-12-17-31-25(30)21-22-24(29(23(21)26)16-15-18(2)3)28-20-14-11-10-13-19(20)27-22/h10-11,13-14,18H,4-9,12,15-17,26H2,1-3H3