(E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]-2-propenamide IUPAC Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]-N-piperonyl-acrylamide Formula: C23H20N4O3 MolecularWeight: 400.4299

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C=NN2)C=C(C#N)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C=NN2)/C=C(\C#N)/C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H20N4O3/c1-2-15-3-6-17(7-4-15)22-19(13-26-27-22)10-18(11-24)23(28)25-12-16-5-8-20-21(9-16)30-14-29-20/h3-10,13H,2,12,14H2,1H3,(H,25,28)(H,26,27)/b18-10+