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

Systemtic Name: ethyl (E)-2-cyano-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: ethyl (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)-2-cyano-acrylic acid ethyl ester Formula: C22H19N3O2 MolecularWeight: 357.40516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C22H19N3O2/c1-2-27-22(26)19(14-23)13-20-16-25(15-17-9-5-3-6-10-17)24-21(20)18-11-7-4-8-12-18/h3-13,16H,2,15H2,1H3/b19-13+