(3E)-3-[1-(4-dimethylaminophenyl)hex-1-yn-3-ylidene]-2-phenyl-isoindol-1-one

Systemtic Name: (3E)-3-[1-(4-dimethylaminophenyl)hex-1-yn-3-ylidene]-2-phenyl-isoindol-1-one Openeye Name: (3E)-3-[1-[2-(4-dimethylaminophenyl)ethynyl]butylidene]-2-phenyl-isoindolin-1-one CAS Name: (3E)-3-[1-(4-dimethylaminophenyl)hex-1-yn-3-ylidene]-2-phenyl-1-isoindolone IUPAC Name: (3E)-3-[1-(4-dimethylaminophenyl)hex-1-yn-3-ylidene]-2-phenylisoindol-1-one Traditional Name: (3E)-3-[3-(4-dimethylaminophenyl)-1-propyl-prop-2-ynylidene]-2-phenyl-isoindolin-1-one Formula: C28H26N2O MolecularWeight: 406.51884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26N2O/c1-4-10-22(18-15-21-16-19-23(20-17-21)29(2)3)27-25-13-8-9-14-26(25)28(31)30(27)24-11-6-5-7-12-24/h5-9,11-14,16-17,19-20H,4,10H2,1-3H3/b27-22+