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

Systemtic Name: (E)-N-(3-acetamido-2-methyl-phenyl)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enamide Openeye Name: (E)-N-(3-acetamido-2-methyl-phenyl)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enamide CAS Name: (E)-N-(3-acetamido-2-methylphenyl)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-propenamide IUPAC Name: (E)-N-(3-acetamido-2-methylphenyl)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enamide Traditional Name: (E)-N-(3-acetamido-2-methyl-phenyl)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acrylamide Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C)NC(=O)C=CC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C)NC(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C21H21ClN2O4/c1-13-17(23-14(2)25)5-3-6-18(13)24-20(26)8-7-15-11-16(22)21-19(12-15)27-9-4-10-28-21/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,23,25)(H,24,26)/b8-7+