(3E)-3-[1-(3,5-dimethoxyphenyl)hex-1-yn-3-ylidene]-2-phenyl-isoindol-1-one

Systemtic Name: (3E)-3-[1-(3,5-dimethoxyphenyl)hex-1-yn-3-ylidene]-2-phenyl-isoindol-1-one Openeye Name: (3E)-3-[1-[2-(3,5-dimethoxyphenyl)ethynyl]butylidene]-2-phenyl-isoindolin-1-one CAS Name: (3E)-3-[1-(3,5-dimethoxyphenyl)hex-1-yn-3-ylidene]-2-phenyl-1-isoindolone IUPAC Name: (3E)-3-[1-(3,5-dimethoxyphenyl)hex-1-yn-3-ylidene]-2-phenylisoindol-1-one Traditional Name: (3E)-3-[3-(3,5-dimethoxyphenyl)-1-propyl-prop-2-ynylidene]-2-phenyl-isoindolin-1-one Formula: C28H25NO3 MolecularWeight: 423.503

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C2=CC=CC=C2C(=O)N1C3=CC=CC=C3)C#CC4=CC(=CC(=C4)OC)OC

Isomeric SMILES

CCC/C(=C\1/C2=CC=CC=C2C(=O)N1C3=CC=CC=C3)/C#CC4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C28H25NO3/c1-4-10-21(16-15-20-17-23(31-2)19-24(18-20)32-3)27-25-13-8-9-14-26(25)28(30)29(27)22-11-6-5-7-12-22/h5-9,11-14,17-19H,4,10H2,1-3H3/b27-21+