(3E)-2-phenyl-3-(3-pyridin-2-ylprop-2-ynylidene)isoindol-1-one

Systemtic Name: (3E)-2-phenyl-3-(3-pyridin-2-ylprop-2-ynylidene)isoindol-1-one Openeye Name: (3E)-2-phenyl-3-[3-(2-pyridyl)prop-2-ynylidene]isoindolin-1-one CAS Name: (3E)-2-phenyl-3-[3-(2-pyridinyl)prop-2-ynylidene]-1-isoindolone IUPAC Name: (3E)-2-phenyl-3-(3-pyridin-2-ylprop-2-ynylidene)isoindol-1-one Traditional Name: (3E)-2-phenyl-3-[3-(2-pyridyl)prop-2-ynylidene]isoindolin-1-one Formula: C22H14N2O MolecularWeight: 322.35936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC#CC3=CC=CC=N3)C4=CC=CC=C4C2=O

Isomeric SMILES

C1=CC=C(C=C1)N2/C(=C/C#CC3=CC=CC=N3)/C4=CC=CC=C4C2=O

InChI

InChI=1S/C22H14N2O/c25-22-20-14-5-4-13-19(20)21(24(22)18-11-2-1-3-12-18)15-8-10-17-9-6-7-16-23-17/h1-7,9,11-16H/b21-15+