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

Systemtic Name: (Z)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[1-phenyl-3-(3-phenylmethoxyphenyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (Z)-3-[3-(3-benzyloxyphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-imidazol-1-ylpropyl)prop-2-enamide CAS Name: (Z)-2-cyano-N-[3-(1-imidazolyl)propyl]-3-[1-phenyl-3-(3-phenylmethoxyphenyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (Z)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[1-phenyl-3-(3-phenylmethoxyphenyl)pyrazol-4-yl]prop-2-enamide Traditional Name: (Z)-3-[3-(3-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=CC(=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=CC(=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)35-15-8-17-37-18-16-34-24-37)19-28-22-38(29-12-5-2-6-13-29)36-31(28)26-11-7-14-30(20-26)40-23-25-9-3-1-4-10-25/h1-7,9-14,16,18-20,22,24H,8,15,17,23H2,(H,35,39)/b27-19-