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

Systemtic Name: (E)-2-cyano-3-[3-(4-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(3-imidazol-1-ylpropyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[3-(4-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(3-imidazol-1-ylpropyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(4-ethoxyphenyl)-1-phenyl-4-pyrazolyl]-N-[3-(1-imidazolyl)propyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]-N-(3-imidazol-1-ylpropyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-(1-phenyl-3-p-phenetyl-pyrazol-4-yl)acrylamide Formula: C27H26N6O2 MolecularWeight: 466.53434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCCCN3C=CN=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCCCN3C=CN=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H26N6O2/c1-2-35-25-11-9-21(10-12-25)26-23(19-33(31-26)24-7-4-3-5-8-24)17-22(18-28)27(34)30-13-6-15-32-16-14-29-20-32/h3-5,7-12,14,16-17,19-20H,2,6,13,15H2,1H3,(H,30,34)/b22-17+