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

Systemtic Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-[3-(4-benzyloxyphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-imidazol-1-ylpropyl)prop-2-enamide CAS Name: (E)-2-cyano-N-[3-(1-imidazolyl)propyl]-3-[1-phenyl-3-(4-phenylmethoxyphenyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]prop-2-enamide Traditional Name: (E)-3-[3-(4-benzoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-imidazol-1-ylpropyl)acrylamide Formula: C32H28N6O2 MolecularWeight: 528.60372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN(C=C3C=C(C#N)C(=O)NCCCN4C=CN=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN(C=C3/C=C(\C#N)/C(=O)NCCCN4C=CN=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H28N6O2/c33-21-27(32(39)35-16-7-18-37-19-17-34-24-37)20-28-22-38(29-10-5-2-6-11-29)36-31(28)26-12-14-30(15-13-26)40-23-25-8-3-1-4-9-25/h1-6,8-15,17,19-20,22,24H,7,16,18,23H2,(H,35,39)/b27-20+