(E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enamide CAS Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]-N-piperonyl-acrylamide Formula: C25H20N4O3 MolecularWeight: 424.4513

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C=CC3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)/C=C/C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H20N4O3/c30-24(27-14-18-8-10-22-23(13-18)32-17-31-22)11-9-20-16-29(21-6-2-1-3-7-21)28-25(20)19-5-4-12-26-15-19/h1-13,15-16H,14,17H2,(H,27,30)/b11-9+