2-[4-(3-pyridin-3-ylpyrazol-1-yl)butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(3-pyridin-3-ylpyrazol-1-yl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-[3-(3-pyridyl)pyrazol-1-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[3-(3-pyridinyl)-1-pyrazolyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(3-pyridin-3-ylpyrazol-1-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-[3-(3-pyridyl)pyrazol-1-yl]butyl]isoindoline-1,3-quinone Formula: C20H18N4O2 MolecularWeight: 346.38252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCN3C=CC(=N3)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCN3C=CC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C20H18N4O2/c25-19-16-7-1-2-8-17(16)20(26)24(19)12-4-3-11-23-13-9-18(22-23)15-6-5-10-21-14-15/h1-2,5-10,13-14H,3-4,11-12H2