[(3E,5E)-1,1-dicyano-6-(4-phenylpiperazin-1-yl)hexa-1,3,5-trien-3-yl] ethanoate

Systemtic Name: [(3E,5E)-1,1-dicyano-6-(4-phenylpiperazin-1-yl)hexa-1,3,5-trien-3-yl] ethanoate Openeye Name: [(1E,3E)-1-(2,2-dicyanovinyl)-4-(4-phenylpiperazin-1-yl)buta-1,3-dienyl] acetate CAS Name: acetic acid [(3E,5E)-1,1-dicyano-6-(4-phenyl-1-piperazinyl)hexa-1,3,5-trien-3-yl] ester IUPAC Name: [(3E,5E)-1,1-dicyano-6-(4-phenylpiperazin-1-yl)hexa-1,3,5-trien-3-yl] acetate Traditional Name: acetic acid [(1E,3E)-1-(2,2-dicyanovinyl)-4-(4-phenylpiperazino)buta-1,3-dienyl] ester Formula: C20H20N4O2 MolecularWeight: 348.3984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(=CC=CN1CCN(CC1)C2=CC=CC=C2)C=C(C#N)C#N

Isomeric SMILES

CC(=O)O/C(=C/C=C/N1CCN(CC1)C2=CC=CC=C2)/C=C(C#N)C#N

InChI

InChI=1S/C20H20N4O2/c1-17(25)26-20(14-18(15-21)16-22)8-5-9-23-10-12-24(13-11-23)19-6-3-2-4-7-19/h2-9,14H,10-13H2,1H3/b9-5+,20-8+