(1-phenylpyrazol-4-yl)methyl 2-(4-acetamidophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

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

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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=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=CN(N=C4)C5=CC=CC=C5

InChI

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