(E)-2-cyano-3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-N-phenethyl-prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-N-phenethyl-prop-2-enamide Openeye Name: (E)-2-cyano-3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-N-phenethyl-prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]-N-phenethyl-2-propenamide IUPAC Name: (E)-2-cyano-3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]-N-phenethylprop-2-enamide Traditional Name: (E)-2-cyano-3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-N-phenethyl-acrylamide Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C=C(C#N)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)/C=C(\C#N)/C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H24N4O3/c1-29-17-21(14-20(16-26)25(30)27-11-10-18-6-3-2-4-7-18)24(28-29)19-8-9-22-23(15-19)32-13-5-12-31-22/h2-4,6-9,14-15,17H,5,10-13H2,1H3,(H,27,30)/b20-14+