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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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