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

Systemtic Name: (E)-2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-N-propan-2-yl-prop-2-enamide Openeye Name: (E)-2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-N-isopropyl-prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]-N-propan-2-yl-2-propenamide IUPAC Name: (E)-2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-N-propan-2-ylprop-2-enamide Traditional Name: (E)-2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-N-isopropyl-acrylamide Formula: C24H22N4O3 MolecularWeight: 414.45648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(=CC1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)NC(=O)/C(=C/C1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C24H22N4O3/c1-16(2)26-24(29)18(14-25)12-19-15-28(20-6-4-3-5-7-20)27-23(19)17-8-9-21-22(13-17)31-11-10-30-21/h3-9,12-13,15-16H,10-11H2,1-2H3,(H,26,29)/b18-12+