N-(2-bromanyl-4-methyl-phenyl)-6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C17H15BrClNO3 MolecularWeight: 396.6629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3)Br

InChI

InChI=1S/C17H15BrClNO3/c1-10-3-4-14(12(18)7-10)20-17(21)11-8-13(19)16-15(9-11)22-5-2-6-23-16/h3-4,7-9H,2,5-6H2,1H3,(H,20,21)