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

Systemtic Name: 4-bromanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-3-methyl-aniline Openeye Name: 4-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-3-methyl-aniline CAS Name: 4-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-3-methylaniline IUPAC Name: 4-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-3-methylaniline Traditional Name: (4-bromo-3-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=CC(=C1)NCC2=C3C(=CC=C2)OCCCO3)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrNO2/c1-12-10-14(6-7-15(12)18)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