[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl quinoxaline-6-carboxylate

Systemtic Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl quinoxaline-6-carboxylate Openeye Name: [3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methyl quinoxaline-6-carboxylate CAS Name: 6-quinoxalinecarboxylic acid [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl quinoxaline-6-carboxylate Traditional Name: quinoxaline-6-carboxylic acid (3-p-cumenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C21H18N4O3 MolecularWeight: 374.39262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC4=NC=CN=C4C=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C21H18N4O3/c1-13(2)14-3-5-15(6-4-14)20-24-19(28-25-20)12-27-21(26)16-7-8-17-18(11-16)23-10-9-22-17/h3-11,13H,12H2,1-2H3