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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid 4-phthalimidobutyl ester Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H19N3O4/c26-20-16-10-4-5-11-17(16)21(27)25(20)12-6-7-13-29-22(28)19-14-18(23-24-19)15-8-2-1-3-9-15/h1-5,8-11,14H,6-7,12-13H2,(H,23,24)