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

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-(2,5-dimethylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-(2,5-dimethylphenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(2,5-dimethylphenyl)-1,3-dioxo-5-isoindolecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(2,5-dimethylphenyl)-1,3-diketo-isoindoline-5-carboxylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C27H21N3O4 MolecularWeight: 451.47334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C27H21N3O4/c1-17-4-5-18(2)24(14-17)30-25(31)22-11-8-20(15-23(22)26(30)32)27(33)34-16-19-6-9-21(10-7-19)29-13-3-12-28-29/h3-15H,16H2,1-2H3