4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 5-methyl-1-pyridin-2-yl-pyrazole-4-carboxylate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 5-methyl-1-pyridin-2-yl-pyrazole-4-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 5-methyl-1-(2-pyridyl)pyrazole-4-carboxylate CAS Name: 5-methyl-1-(2-pyridinyl)-4-pyrazolecarboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-(2-pyridyl)pyrazole-4-carboxylic acid 4-phthalimidobutyl ester Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=N2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=N2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H20N4O4/c1-15-18(14-24-26(15)19-10-4-5-11-23-19)22(29)30-13-7-6-12-25-20(27)16-8-2-3-9-17(16)21(25)28/h2-5,8-11,14H,6-7,12-13H2,1H3