4-[(3E)-3-(3-oxidanylidene-2-phenyl-isoindol-1-ylidene)hex-1-ynyl]benzenecarbonitrile

Systemtic Name: 4-[(3E)-3-(3-oxidanylidene-2-phenyl-isoindol-1-ylidene)hex-1-ynyl]benzenecarbonitrile Openeye Name: 4-[(3E)-3-(3-oxo-2-phenyl-isoindolin-1-ylidene)hex-1-ynyl]benzonitrile CAS Name: 4-[(3E)-3-(3-oxo-2-phenyl-1-isoindolylidene)hex-1-ynyl]benzonitrile IUPAC Name: 4-[(3E)-3-(3-oxo-2-phenylisoindol-1-ylidene)hex-1-ynyl]benzonitrile Traditional Name: 4-[(3E)-3-(3-keto-2-phenyl-isoindolin-1-ylidene)hex-1-ynyl]benzonitrile Formula: C27H20N2O MolecularWeight: 388.4605

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H20N2O/c1-2-8-22(18-17-20-13-15-21(19-28)16-14-20)26-24-11-6-7-12-25(24)27(30)29(26)23-9-4-3-5-10-23/h3-7,9-16H,2,8H2,1H3/b26-22+