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

Systemtic Name: (E)-N-(4-acetamidophenyl)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enamide Openeye Name: (E)-N-(4-acetamidophenyl)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enamide CAS Name: (E)-N-(4-acetamidophenyl)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-propenamide IUPAC Name: (E)-N-(4-acetamidophenyl)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enamide Traditional Name: (E)-N-(4-acetamidophenyl)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acrylamide Formula: C20H19ClN2O4 MolecularWeight: 386.82886

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O4/c1-13(24)22-15-4-6-16(7-5-15)23-19(25)8-3-14-11-17(21)20-18(12-14)26-9-2-10-27-20/h3-8,11-12H,2,9-10H2,1H3,(H,22,24)(H,23,25)/b8-3+