(E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-N-(4-methoxyphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-N-(4-methoxyphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-N-(4-methoxyphenyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]-N-(4-methoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]-N-(4-methoxyphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-N-(4-methoxyphenyl)acrylamide Formula: C23H19N5O2 MolecularWeight: 397.42926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)CCC#N)C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)/C(=C/C2=CN(N=C2C3=CC=CC=C3)CCC#N)/C#N

InChI

InChI=1S/C23H19N5O2/c1-30-21-10-8-20(9-11-21)26-23(29)18(15-25)14-19-16-28(13-5-12-24)27-22(19)17-6-3-2-4-7-17/h2-4,6-11,14,16H,5,13H2,1H3,(H,26,29)/b18-14+