(3E)-2-hexyl-3-phenethylidene-isoindol-1-one

Systemtic Name: (3E)-2-hexyl-3-phenethylidene-isoindol-1-one Openeye Name: (3E)-2-hexyl-3-phenethylidene-isoindolin-1-one CAS Name: (3E)-2-hexyl-3-phenethylidene-1-isoindolone IUPAC Name: (3E)-2-hexyl-3-phenethylideneisoindol-1-one Traditional Name: (3E)-2-hexyl-3-phenethylidene-isoindolin-1-one Formula: C22H25NO MolecularWeight: 319.44

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=CCC2=CC=CC=C2)C3=CC=CC=C3C1=O

Isomeric SMILES

CCCCCCN1/C(=C/CC2=CC=CC=C2)/C3=CC=CC=C3C1=O

InChI

InChI=1S/C22H25NO/c1-2-3-4-10-17-23-21(16-15-18-11-6-5-7-12-18)19-13-8-9-14-20(19)22(23)24/h5-9,11-14,16H,2-4,10,15,17H2,1H3/b21-16+