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

Systemtic Name: (E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyano-N-(4-methylphenyl)prop-2-enamide Openeye Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyano-N-(p-tolyl)prop-2-enamide CAS Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyano-N-(4-methylphenyl)-2-propenamide IUPAC Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyano-N-(4-methylphenyl)prop-2-enamide Traditional Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyano-N-(p-tolyl)acrylamide Formula: C20H17ClN2O3 MolecularWeight: 368.81358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=CC2=CC3=C(C(=C2)Cl)OCCCO3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC3=C(C(=C2)Cl)OCCCO3)/C#N

InChI

InChI=1S/C20H17ClN2O3/c1-13-3-5-16(6-4-13)23-20(24)15(12-22)9-14-10-17(21)19-18(11-14)25-7-2-8-26-19/h3-6,9-11H,2,7-8H2,1H3,(H,23,24)/b15-9+