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

Systemtic Name: propan-2-yl (E)-2-cyano-3-[3-(2-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: isopropyl (E)-2-cyano-3-[3-(o-tolyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[3-(2-methylphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-2-cyano-3-[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[3-(o-tolyl)-1-phenyl-pyrazol-4-yl]acrylic acid isopropyl ester Formula: C23H21N3O2 MolecularWeight: 371.43174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C=C2C=C(C#N)C(=O)OC(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C=C2/C=C(\C#N)/C(=O)OC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C23H21N3O2/c1-16(2)28-23(27)18(14-24)13-19-15-26(20-10-5-4-6-11-20)25-22(19)21-12-8-7-9-17(21)3/h4-13,15-16H,1-3H3/b18-13+