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

Systemtic Name: (E)-2-cyano-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(phenylmethyl)prop-2-enamide Openeye Name: (E)-N-benzyl-2-cyano-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-N-(phenylmethyl)-2-propenamide IUPAC Name: (E)-N-benzyl-2-cyano-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (E)-N-benzyl-2-cyano-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C27H22N4O2 MolecularWeight: 434.48918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H22N4O2/c1-33-25-14-12-21(13-15-25)26-23(19-31(30-26)24-10-6-3-7-11-24)16-22(17-28)27(32)29-18-20-8-4-2-5-9-20/h2-16,19H,18H2,1H3,(H,29,32)/b22-16+