2-(4-oxidanylidene-4-pyrazol-1-yl-butyl)isoindole-1,3-dione

Systemtic Name: 2-(4-oxidanylidene-4-pyrazol-1-yl-butyl)isoindole-1,3-dione Openeye Name: 2-(4-oxo-4-pyrazol-1-yl-butyl)isoindoline-1,3-dione CAS Name: 2-[4-oxo-4-(1-pyrazolyl)butyl]isoindole-1,3-dione IUPAC Name: 2-(4-oxo-4-pyrazol-1-ylbutyl)isoindole-1,3-dione Traditional Name: 2-(4-keto-4-pyrazol-1-yl-butyl)isoindoline-1,3-quinone Formula: C15H13N3O3 MolecularWeight: 283.28202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)N3C=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)N3C=CC=N3

InChI

InChI=1S/C15H13N3O3/c19-13(18-10-4-8-16-18)7-3-9-17-14(20)11-5-1-2-6-12(11)15(17)21/h1-2,4-6,8,10H,3,7,9H2