(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(2-methylphenyl)methanamine

Systemtic Name: (7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(2-methylphenyl)methanamine Openeye Name: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(o-tolyl)methanamine CAS Name: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(2-methylphenyl)methanamine IUPAC Name: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(2-methylphenyl)methanamine Traditional Name: [(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(o-tolyl)methyl]amine Formula: C17H18BrNO2 MolecularWeight: 348.23432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC3=C(C=C2Br)OCCCO3)N

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC3=C(C=C2Br)OCCCO3)N

InChI

InChI=1S/C17H18BrNO2/c1-11-5-2-3-6-12(11)17(19)13-9-15-16(10-14(13)18)21-8-4-7-20-15/h2-3,5-6,9-10,17H,4,7-8,19H2,1H3