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

Systemtic Name: (E)-N-(4-tert-butylphenyl)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enamide Openeye Name: (E)-N-(4-tert-butylphenyl)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enamide CAS Name: (E)-N-(4-tert-butylphenyl)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-propenamide IUPAC Name: (E)-N-(4-tert-butylphenyl)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enamide Traditional Name: (E)-N-(4-tert-butylphenyl)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acrylamide Formula: C22H24ClNO3 MolecularWeight: 385.88386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClNO3/c1-22(2,3)16-6-8-17(9-7-16)24-20(25)10-5-15-13-18(23)21-19(14-15)26-11-4-12-27-21/h5-10,13-14H,4,11-12H2,1-3H3,(H,24,25)/b10-5+