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

Systemtic Name: (E)-N-(1,3-benzodioxol-5-yl)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-prop-2-enamide Openeye Name: (E)-N-(1,3-benzodioxol-5-yl)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-prop-2-enamide CAS Name: (E)-N-(1,3-benzodioxol-5-yl)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-2-propenamide IUPAC Name: (E)-N-(1,3-benzodioxol-5-yl)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enamide Traditional Name: (E)-N-(1,3-benzodioxol-5-yl)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-acrylamide Formula: C20H13BrN4O3 MolecularWeight: 437.24622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13BrN4O3/c21-15-3-1-12(2-4-15)19-14(10-23-25-19)7-13(9-22)20(26)24-16-5-6-17-18(8-16)28-11-27-17/h1-8,10H,11H2,(H,23,25)(H,24,26)/b13-7+