N-(4-bromanyl-3-methyl-phenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C18H18BrNO3 MolecularWeight: 376.24442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C(=O)NC3=CC(=C(C=C3)Br)C)OCCCO2

Isomeric SMILES

CC1=CC2=C(C=C1C(=O)NC3=CC(=C(C=C3)Br)C)OCCCO2

InChI

InChI=1S/C18H18BrNO3/c1-11-9-16-17(23-7-3-6-22-16)10-14(11)18(21)20-13-4-5-15(19)12(2)8-13/h4-5,8-10H,3,6-7H2,1-2H3,(H,20,21)