2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-N-(2-methylphenyl)prop-2-enamide

Systemtic Name: 2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-N-(2-methylphenyl)prop-2-enamide Openeye Name: 2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-N-(o-tolyl)prop-2-enamide CAS Name: 2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]-N-(2-methylphenyl)-2-propenamide IUPAC Name: 2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-N-(2-methylphenyl)prop-2-enamide Traditional Name: 2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-N-(o-tolyl)acrylamide Formula: C28H22N4O3 MolecularWeight: 462.49928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(=CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5)C#N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(=CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C28H22N4O3/c1-19-7-5-6-10-24(19)30-28(33)21(17-29)15-22-18-32(23-8-3-2-4-9-23)31-27(22)20-11-12-25-26(16-20)35-14-13-34-25/h2-12,15-16,18H,13-14H2,1H3,(H,30,33)