ethyl (E)-2-cyano-3-[2-[2-(4-fluorophenyl)quinolin-4-yl]carbonylhydrazinyl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[2-[2-(4-fluorophenyl)quinolin-4-yl]carbonylhydrazinyl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[2-[2-(4-fluorophenyl)quinoline-4-carbonyl]hydrazino]prop-2-enoate CAS Name: (E)-2-cyano-3-[[[2-(4-fluorophenyl)-4-quinolinyl]-oxomethyl]hydrazo]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[2-[2-(4-fluorophenyl)quinoline-4-carbonyl]hydrazinyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[N'-[2-(4-fluorophenyl)quinoline-4-carbonyl]hydrazino]acrylic acid ethyl ester Formula: C22H17FN4O3 MolecularWeight: 404.393783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)F)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)F)/C#N

InChI

InChI=1S/C22H17FN4O3/c1-2-30-22(29)15(12-24)13-25-27-21(28)18-11-20(14-7-9-16(23)10-8-14)26-19-6-4-3-5-17(18)19/h3-11,13,25H,2H2,1H3,(H,27,28)/b15-13+