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

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-(2-chlorophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-(2-chlorophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(2-chlorophenyl)-1,3-dioxo-5-isoindolecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(2-chlorophenyl)-1,3-diketo-isoindoline-5-carboxylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C25H16ClN3O4 MolecularWeight: 457.86524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H16ClN3O4/c26-21-4-1-2-5-22(21)29-23(30)19-11-8-17(14-20(19)24(29)31)25(32)33-15-16-6-9-18(10-7-16)28-13-3-12-27-28/h1-14H,15H2