(E)-3-[3-(4-chlorophenyl)-1-(phenylmethyl)pyrazol-4-yl]-2-cyano-prop-2-enoate

Systemtic Name: (E)-3-[3-(4-chlorophenyl)-1-(phenylmethyl)pyrazol-4-yl]-2-cyano-prop-2-enoate Openeye Name: (E)-3-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[3-(4-chlorophenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-cyano-2-propenoate IUPAC Name: (E)-3-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-2-cyano-acrylate Formula: C20H13ClN3O2- MolecularWeight: 362.78912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=C(C=C3)Cl)C=C(C#N)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=C(C=C3)Cl)/C=C(\C#N)/C(=O)[O-]

InChI

InChI=1S/C20H14ClN3O2/c21-18-8-6-15(7-9-18)19-17(10-16(11-22)20(25)26)13-24(23-19)12-14-4-2-1-3-5-14/h1-10,13H,12H2,(H,25,26)/p-1/b16-10+