N-[(4-acetamidophenyl)methyl]-2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamide

Systemtic Name: N-[(4-acetamidophenyl)methyl]-2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamide Openeye Name: N-[(4-acetamidophenyl)methyl]-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide CAS Name: N-[(4-acetamidophenyl)methyl]-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide IUPAC Name: N-[(4-acetamidophenyl)methyl]-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide Traditional Name: N-(4-acetamidobenzyl)-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide Formula: C20H21ClN2O4 MolecularWeight: 388.84474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CNC(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CNC(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C20H21ClN2O4/c1-13(24)23-16-5-3-14(4-6-16)12-22-19(25)11-15-9-17(21)20-18(10-15)26-7-2-8-27-20/h3-6,9-10H,2,7-8,11-12H2,1H3,(H,22,25)(H,23,24)