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

Systemtic Name: (E)-3-[3-(3-chloranyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-imidazol-1-ylpropyl)prop-2-enamide Openeye Name: (E)-3-[3-(3-chloro-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-imidazol-1-ylpropyl)prop-2-enamide CAS Name: (E)-3-[3-(3-chloro-4-propoxyphenyl)-1-phenyl-4-pyrazolyl]-2-cyano-N-[3-(1-imidazolyl)propyl]-2-propenamide IUPAC Name: (E)-3-[3-(3-chloro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-(3-imidazol-1-ylpropyl)prop-2-enamide Traditional Name: (E)-3-[3-(3-chloro-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-imidazol-1-ylpropyl)acrylamide Formula: C28H27ClN6O2 MolecularWeight: 515.00598

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCCCN3C=CN=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCCCN3C=CN=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C28H27ClN6O2/c1-2-15-37-26-10-9-21(17-25(26)29)27-23(19-35(33-27)24-7-4-3-5-8-24)16-22(18-30)28(36)32-11-6-13-34-14-12-31-20-34/h3-5,7-10,12,14,16-17,19-20H,2,6,11,13,15H2,1H3,(H,32,36)/b22-16+