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

Systemtic Name: prop-2-enyl 3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enoate Openeye Name: allyl 3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: 3-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-2-cyano-2-propenoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: 3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-cyano-acrylic acid allyl ester Formula: C24H17N3O3 MolecularWeight: 395.41008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C(=CC1=CN(N=C1C2=CC3=CC=CC=C3O2)C4=CC=CC=C4)C#N

Isomeric SMILES

C=CCOC(=O)C(=CC1=CN(N=C1C2=CC3=CC=CC=C3O2)C4=CC=CC=C4)C#N

InChI

InChI=1S/C24H17N3O3/c1-2-12-29-24(28)18(15-25)13-19-16-27(20-9-4-3-5-10-20)26-23(19)22-14-17-8-6-7-11-21(17)30-22/h2-11,13-14,16H,1,12H2