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

Systemtic Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(3-imidazol-1-ylpropyl)prop-2-enamide Openeye Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(3-imidazol-1-ylpropyl)prop-2-enamide CAS Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-N-[3-(1-imidazolyl)propyl]-2-propenamide IUPAC Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-(3-imidazol-1-ylpropyl)prop-2-enamide Traditional Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(3-imidazol-1-ylpropyl)acrylamide Formula: C26H27N5O3 MolecularWeight: 457.52428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2/C=C/C(=O)NCCCN3C=CN=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H27N5O3/c1-33-23-11-9-20(17-24(23)34-2)26-21(18-31(29-26)22-7-4-3-5-8-22)10-12-25(32)28-13-6-15-30-16-14-27-19-30/h3-5,7-12,14,16-19H,6,13,15H2,1-2H3,(H,28,32)/b12-10+