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

Systemtic Name: (E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(2-ethyl-6-methyl-phenyl)prop-2-enamide Openeye Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(2-ethyl-6-methyl-phenyl)prop-2-enamide CAS Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(2-ethyl-6-methylphenyl)-2-propenamide IUPAC Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide Traditional Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(2-ethyl-6-methyl-phenyl)acrylamide Formula: C21H22ClNO3 MolecularWeight: 371.85728

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C=CC2=CC3=C(C(=C2)Cl)OCCCO3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCCCO3)C

InChI

InChI=1S/C21H22ClNO3/c1-3-16-7-4-6-14(2)20(16)23-19(24)9-8-15-12-17(22)21-18(13-15)25-10-5-11-26-21/h4,6-9,12-13H,3,5,10-11H2,1-2H3,(H,23,24)/b9-8+