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

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-(2-methylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-(o-tolyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(2-methylphenyl)-1,3-dioxo-5-isoindolecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(o-tolyl)isoindoline-5-carboxylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C26H19N3O4 MolecularWeight: 437.44676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C26H19N3O4/c1-17-5-2-3-6-23(17)29-24(30)21-12-9-19(15-22(21)25(29)31)26(32)33-16-18-7-10-20(11-8-18)28-14-4-13-27-28/h2-15H,16H2,1H3