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

Systemtic Name: prop-2-enyl (E)-2-cyano-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: allyl (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 prop-2-enyl ester IUPAC Name: prop-2-enyl (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 allyl ester Formula: C23H19N3O2 MolecularWeight: 369.41586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O2/c1-2-13-28-23(27)20(15-24)14-21-17-26(16-18-9-5-3-6-10-18)25-22(21)19-11-7-4-8-12-19/h2-12,14,17H,1,13,16H2/b20-14+