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

Systemtic Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-N-(3,4-dimethylphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-N-(3,4-dimethylphenyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]-N-(3,4-dimethylphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]-N-(3,4-dimethylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-N-(3,4-dimethylphenyl)acrylamide Formula: C24H21N5O MolecularWeight: 395.45644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)CCC#N)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)/C(=C/C2=CN(N=C2C3=CC=CC=C3)CCC#N)/C#N)C

InChI

InChI=1S/C24H21N5O/c1-17-9-10-22(13-18(17)2)27-24(30)20(15-26)14-21-16-29(12-6-11-25)28-23(21)19-7-4-3-5-8-19/h3-5,7-10,13-14,16H,6,12H2,1-2H3,(H,27,30)/b20-14+