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

Systemtic Name: (E)-N-butyl-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enamide Openeye Name: (E)-N-butyl-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enamide CAS Name: (E)-N-butyl-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-propenamide IUPAC Name: (E)-N-butyl-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enamide Traditional Name: (E)-N-butyl-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acrylamide Formula: C16H20ClNO3 MolecularWeight: 309.7879

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C=CC1=CC2=C(C(=C1)Cl)OCCCO2

Isomeric SMILES

CCCCNC(=O)/C=C/C1=CC2=C(C(=C1)Cl)OCCCO2

InChI

InChI=1S/C16H20ClNO3/c1-2-3-7-18-15(19)6-5-12-10-13(17)16-14(11-12)20-8-4-9-21-16/h5-6,10-11H,2-4,7-9H2,1H3,(H,18,19)/b6-5+