2-[3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]isoindoline-1,3-quinone Formula: C20H17N3O3 MolecularWeight: 347.36728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NN2)OCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NN2)OCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H17N3O3/c24-19-15-9-4-5-10-16(15)20(25)23(19)11-6-12-26-18-13-17(21-22-18)14-7-2-1-3-8-14/h1-5,7-10,13H,6,11-12H2,(H,21,22)