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

Systemtic Name: (E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyano-N-(1-phenylethyl)prop-2-enamide Openeye Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyano-N-(1-phenylethyl)prop-2-enamide CAS Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyano-N-(1-phenylethyl)-2-propenamide IUPAC Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyano-N-(1-phenylethyl)prop-2-enamide Traditional Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyano-N-(1-phenylethyl)acrylamide Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O3/c1-14(16-6-3-2-4-7-16)24-21(25)17(13-23)10-15-11-18(22)20-19(12-15)26-8-5-9-27-20/h2-4,6-7,10-12,14H,5,8-9H2,1H3,(H,24,25)/b17-10+