pentyl 1-(4-methylphenyl)-2-(propanoylamino)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: pentyl 1-(4-methylphenyl)-2-(propanoylamino)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: pentyl 2-(propanoylamino)-1-(p-tolyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 1-(4-methylphenyl)-2-(1-oxopropylamino)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid pentyl ester IUPAC Name: pentyl 1-(4-methylphenyl)-2-(propanoylamino)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-propionamido-1-(p-tolyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid amyl ester Formula: C26H28N4O3 MolecularWeight: 444.52552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)C)NC(=O)CC

Isomeric SMILES

CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)C)NC(=O)CC

InChI

InChI=1S/C26H28N4O3/c1-4-6-9-16-33-26(32)22-23-25(28-20-11-8-7-10-19(20)27-23)30(24(22)29-21(31)5-2)18-14-12-17(3)13-15-18/h7-8,10-15H,4-6,9,16H2,1-3H3,(H,29,31)