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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid 4-phthalimidobutyl ester Formula: C24H23N3O4 MolecularWeight: 417.45712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H23N3O4/c1-16-21(17(2)27(25-16)18-10-4-3-5-11-18)24(30)31-15-9-8-14-26-22(28)19-12-6-7-13-20(19)23(26)29/h3-7,10-13H,8-9,14-15H2,1-2H3