(4-pyrazol-1-ylphenyl)methyl 3-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 3-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 3-(5-methyl-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(5-methyl-1,3-dioxo-2-isoindolyl)propanoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-5-methyl-isoindolin-2-yl)propionic acid (4-pyrazol-1-ylbenzyl) ester Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(=O)OCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(=O)OCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H19N3O4/c1-15-3-8-18-19(13-15)22(28)24(21(18)27)12-9-20(26)29-14-16-4-6-17(7-5-16)25-11-2-10-23-25/h2-8,10-11,13H,9,12,14H2,1H3