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

Systemtic Name: (Z)-2-cyano-3-[3-(3-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(phenylmethyl)prop-2-enamide Openeye Name: (Z)-N-benzyl-2-cyano-3-[3-(3-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (Z)-2-cyano-3-[3-(3-ethoxyphenyl)-1-phenyl-4-pyrazolyl]-N-(phenylmethyl)-2-propenamide IUPAC Name: (Z)-N-benzyl-2-cyano-3-[3-(3-ethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (Z)-N-benzyl-2-cyano-3-(3-m-phenetyl-1-phenyl-pyrazol-4-yl)acrylamide Formula: C28H24N4O2 MolecularWeight: 448.51576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NN(C=C2/C=C(/C#N)\C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H24N4O2/c1-2-34-26-15-9-12-22(17-26)27-24(20-32(31-27)25-13-7-4-8-14-25)16-23(18-29)28(33)30-19-21-10-5-3-6-11-21/h3-17,20H,2,19H2,1H3,(H,30,33)/b23-16-