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

Systemtic Name: 2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-N-(4-ethylphenyl)prop-2-enamide Openeye Name: 2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-N-(4-ethylphenyl)prop-2-enamide CAS Name: 2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]-N-(4-ethylphenyl)-2-propenamide IUPAC Name: 2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-N-(4-ethylphenyl)prop-2-enamide Traditional Name: 2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-N-(4-ethylphenyl)acrylamide Formula: C29H24N4O3 MolecularWeight: 476.52586

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(=CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(=CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C29H24N4O3/c1-2-20-8-11-24(12-9-20)31-29(34)22(18-30)16-23-19-33(25-6-4-3-5-7-25)32-28(23)21-10-13-26-27(17-21)36-15-14-35-26/h3-13,16-17,19H,2,14-15H2,1H3,(H,31,34)