(3E)-3-non-5-yn-4-ylidene-2-phenyl-isoindol-1-one

Systemtic Name: (3E)-3-non-5-yn-4-ylidene-2-phenyl-isoindol-1-one Openeye Name: (3E)-2-phenyl-3-(1-propylhex-2-ynylidene)isoindolin-1-one CAS Name: (3E)-3-non-5-yn-4-ylidene-2-phenyl-1-isoindolone IUPAC Name: (3E)-3-non-5-yn-4-ylidene-2-phenylisoindol-1-one Traditional Name: (3E)-2-phenyl-3-(1-propylhex-2-ynylidene)isoindolin-1-one Formula: C23H23NO MolecularWeight: 329.43482

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC(=C1C2=CC=CC=C2C(=O)N1C3=CC=CC=C3)CCC

Isomeric SMILES

CCCC#C/C(=C/1\C2=CC=CC=C2C(=O)N1C3=CC=CC=C3)/CCC

InChI

InChI=1S/C23H23NO/c1-3-5-7-13-18(12-4-2)22-20-16-10-11-17-21(20)23(25)24(22)19-14-8-6-9-15-19/h6,8-11,14-17H,3-5,12H2,1-2H3/b22-18+