[(1R)-1-cyanoethyl] (E)-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [(1R)-1-cyanoethyl] (E)-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [(1R)-1-cyanoethyl] (E)-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(2-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (E)-3-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid [(1R)-1-cyanoethyl] ester Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C=CC1=CN(N=C1C2=CC=CC=C2OC)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C#N)OC(=O)/C=C/C1=CN(N=C1C2=CC=CC=C2OC)C3=CC=CC=C3

InChI

InChI=1S/C22H19N3O3/c1-16(14-23)28-21(26)13-12-17-15-25(18-8-4-3-5-9-18)24-22(17)19-10-6-7-11-20(19)27-2/h3-13,15-16H,1-2H3/b13-12+/t16-/m1/s1