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

Systemtic Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-prop-2-enamide Openeye Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-prop-2-enamide CAS Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-2-propenamide IUPAC Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enamide Traditional Name: (E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-N-piperonyl-acrylamide Formula: C21H15BrN4O3 MolecularWeight: 451.2728

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(=CC3=C(NN=C3)C4=CC=C(C=C4)Br)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)/C(=C/C3=C(NN=C3)C4=CC=C(C=C4)Br)/C#N

InChI

InChI=1S/C21H15BrN4O3/c22-17-4-2-14(3-5-17)20-16(11-25-26-20)8-15(9-23)21(27)24-10-13-1-6-18-19(7-13)29-12-28-18/h1-8,11H,10,12H2,(H,24,27)(H,25,26)/b15-8+