(4-pyrazol-1-ylphenyl)methyl 2-(4-acetamidophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-(4-acetamidophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-(4-acetamidophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-acetamidophenyl)-1,3-dioxo-5-isoindolecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(4-acetamidophenyl)-1,3-diketo-isoindoline-5-carboxylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C27H20N4O5 MolecularWeight: 480.4715

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C27H20N4O5/c1-17(32)29-20-6-10-22(11-7-20)31-25(33)23-12-5-19(15-24(23)26(31)34)27(35)36-16-18-3-8-21(9-4-18)30-14-2-13-28-30/h2-15H,16H2,1H3,(H,29,32)