(E)-N-(3-acetamido-2-methyl-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enamide

Systemtic Name: (E)-N-(3-acetamido-2-methyl-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enamide Openeye Name: (E)-N-(3-acetamido-2-methyl-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enamide CAS Name: (E)-N-(3-acetamido-2-methylphenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-propenamide IUPAC Name: (E)-N-(3-acetamido-2-methylphenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enamide Traditional Name: (E)-N-(3-acetamido-2-methyl-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acrylamide Formula: C21H22N2O4 MolecularWeight: 366.41038

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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)OCCCO3

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-14-17(22-15(2)24)5-3-6-18(14)23-21(25)10-8-16-7-9-19-20(13-16)27-12-4-11-26-19/h3,5-10,13H,4,11-12H2,1-2H3,(H,22,24)(H,23,25)/b10-8+