3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-methylphenyl)prop-2-enamide

Systemtic Name: 3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-methylphenyl)prop-2-enamide Openeye Name: 3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(m-tolyl)prop-2-enamide CAS Name: 3-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-2-cyano-N-(3-methylphenyl)-2-propenamide IUPAC Name: 3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-2-cyano-N-(3-methylphenyl)prop-2-enamide Traditional Name: 3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(m-tolyl)acrylamide Formula: C28H20N4O2 MolecularWeight: 444.484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(=CC2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(=CC2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5)C#N

InChI

InChI=1S/C28H20N4O2/c1-19-8-7-10-23(14-19)30-28(33)21(17-29)15-22-18-32(24-11-3-2-4-12-24)31-27(22)26-16-20-9-5-6-13-25(20)34-26/h2-16,18H,1H3,(H,30,33)