5-bromanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-methyl-aniline

Systemtic Name: 5-bromanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-methyl-aniline Openeye Name: 5-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-methyl-aniline CAS Name: 5-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-methylaniline IUPAC Name: 5-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-methylaniline Traditional Name: (5-bromo-2-methyl-phenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)amine Formula: C17H18BrNO2 MolecularWeight: 348.23432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)NCC2=C3C(=CC=C2)OCCCO3

Isomeric SMILES

CC1=C(C=C(C=C1)Br)NCC2=C3C(=CC=C2)OCCCO3

InChI

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