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

Systemtic Name: 2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-N-octyl-prop-2-enamide Openeye Name: 2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-N-octyl-prop-2-enamide CAS Name: 2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]-N-octyl-2-propenamide IUPAC Name: 2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-N-octylprop-2-enamide Traditional Name: 2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-N-octyl-acrylamide Formula: C29H32N4O3 MolecularWeight: 484.58938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N4O3/c1-2-3-4-5-6-10-15-31-29(34)23(20-30)18-24-21-33(25-11-8-7-9-12-25)32-28(24)22-13-14-26-27(19-22)36-17-16-35-26/h7-9,11-14,18-19,21H,2-6,10,15-17H2,1H3,(H,31,34)