(E)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-N-(1,3-benzodioxol-5-yl)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)-2-cyano-prop-2-enamide CAS Name: (E)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-N-(1,3-benzodioxol-5-yl)-3-(1-benzyl-3-phenylpyrazol-4-yl)-2-cyanoprop-2-enamide Traditional Name: (E)-N-(1,3-benzodioxol-5-yl)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)-2-cyano-acrylamide Formula: C27H20N4O3 MolecularWeight: 448.4727

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C(=CC3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)/C(=C/C3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5)/C#N

InChI

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