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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C17H16BrNO3 MolecularWeight: 362.21784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrNO3/c1-11-3-5-14(13(18)9-11)19-17(20)12-4-6-15-16(10-12)22-8-2-7-21-15/h3-6,9-10H,2,7-8H2,1H3,(H,19,20)