(E)-N-(4-acetamidophenyl)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyano-prop-2-enamide

Systemtic Name: (E)-N-(4-acetamidophenyl)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyano-prop-2-enamide Openeye Name: (E)-N-(4-acetamidophenyl)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyano-prop-2-enamide CAS Name: (E)-N-(4-acetamidophenyl)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyano-2-propenamide IUPAC Name: (E)-N-(4-acetamidophenyl)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyanoprop-2-enamide Traditional Name: (E)-N-(4-acetamidophenyl)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyano-acrylamide Formula: C21H18ClN3O4 MolecularWeight: 411.83832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C(=CC2=CC3=C(C(=C2)Cl)OCCCO3)C#N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC3=C(C(=C2)Cl)OCCCO3)/C#N

InChI

InChI=1S/C21H18ClN3O4/c1-13(26)24-16-3-5-17(6-4-16)25-21(27)15(12-23)9-14-10-18(22)20-19(11-14)28-7-2-8-29-20/h3-6,9-11H,2,7-8H2,1H3,(H,24,26)(H,25,27)/b15-9+