(E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(1,3-diphenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-piperonyl-acrylamide Formula: C27H20N4O3 MolecularWeight: 448.4727

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H20N4O3/c28-15-21(27(32)29-16-19-11-12-24-25(13-19)34-18-33-24)14-22-17-31(23-9-5-2-6-10-23)30-26(22)20-7-3-1-4-8-20/h1-14,17H,16,18H2,(H,29,32)/b21-14+