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

Systemtic Name: (E)-2-cyano-3-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]-N-(3-methoxypropyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]-N-(3-methoxypropyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(2,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]-N-(3-methoxypropyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-N-(3-methoxypropyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]-N-(3-methoxypropyl)acrylamide Formula: C25H26N4O2 MolecularWeight: 414.49954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCCCOC)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCCCOC)C3=CC=CC=C3)C

InChI

InChI=1S/C25H26N4O2/c1-18-10-11-23(19(2)14-18)24-21(17-29(28-24)22-8-5-4-6-9-22)15-20(16-26)25(30)27-12-7-13-31-3/h4-6,8-11,14-15,17H,7,12-13H2,1-3H3,(H,27,30)/b20-15+