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

Systemtic Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-[3-(1-imidazolyl)propyl]-3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C26H24N6O2 MolecularWeight: 452.50776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCCCN3C=CN=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCCCN3C=CN=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H24N6O2/c1-34-24-10-8-20(9-11-24)25-22(18-32(30-25)23-6-3-2-4-7-23)16-21(17-27)26(33)29-12-5-14-31-15-13-28-19-31/h2-4,6-11,13,15-16,18-19H,5,12,14H2,1H3,(H,29,33)/b21-16+