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

Systemtic Name: ethyl (E)-2-cyano-3-[3-(4-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[1-benzyl-3-(p-tolyl)pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[3-(4-methylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[1-benzyl-3-(p-tolyl)pyrazol-4-yl]-2-cyano-acrylic acid ethyl ester Formula: C23H21N3O2 MolecularWeight: 371.43174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O2/c1-3-28-23(27)20(14-24)13-21-16-26(15-18-7-5-4-6-8-18)25-22(21)19-11-9-17(2)10-12-19/h4-13,16H,3,15H2,1-2H3/b20-13+