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

Systemtic Name: propan-2-yl (E)-2-cyano-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (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 isopropyl ester Formula: C23H21N3O2 MolecularWeight: 371.43174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O2/c1-17(2)28-23(27)20(14-24)13-21-16-26(15-18-9-5-3-6-10-18)25-22(21)19-11-7-4-8-12-19/h3-13,16-17H,15H2,1-2H3/b20-13+