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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=C(C#N)C(=O)NCC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H24N4O2/c1-34-26-14-8-11-22(16-26)15-24(17-29)28(33)30-18-25-20-32(19-21-9-4-2-5-10-21)31-27(25)23-12-6-3-7-13-23/h2-16,20H,18-19H2,1H3,(H,30,33)/b24-15+