(Z)-3-[3-(3-chloranyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(phenylmethyl)prop-2-enamide

Systemtic Name: (Z)-3-[3-(3-chloranyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(phenylmethyl)prop-2-enamide Openeye Name: (Z)-N-benzyl-3-[3-(3-chloro-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enamide CAS Name: (Z)-3-[3-(3-chloro-4-propoxyphenyl)-1-phenyl-4-pyrazolyl]-2-cyano-N-(phenylmethyl)-2-propenamide IUPAC Name: (Z)-N-benzyl-3-[3-(3-chloro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]-2-cyanoprop-2-enamide Traditional Name: (Z)-N-benzyl-3-[3-(3-chloro-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-acrylamide Formula: C29H25ClN4O2 MolecularWeight: 496.9874

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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)NCC3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C29H25ClN4O2/c1-2-15-36-27-14-13-22(17-26(27)30)28-24(20-34(33-28)25-11-7-4-8-12-25)16-23(18-31)29(35)32-19-21-9-5-3-6-10-21/h3-14,16-17,20H,2,15,19H2,1H3,(H,32,35)/b23-16-