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

Systemtic Name: (7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(2,5-dimethylfuran-3-yl)methanamine Openeye Name: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(2,5-dimethyl-3-furyl)methanamine CAS Name: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(2,5-dimethyl-3-furanyl)methanamine IUPAC Name: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(2,5-dimethylfuran-3-yl)methanamine Traditional Name: [(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(2,5-dimethyl-3-furyl)methyl]amine Formula: C16H18BrNO3 MolecularWeight: 352.22302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(C2=CC3=C(C=C2Br)OCCCO3)N

Isomeric SMILES

CC1=CC(=C(O1)C)C(C2=CC3=C(C=C2Br)OCCCO3)N

InChI

InChI=1S/C16H18BrNO3/c1-9-6-11(10(2)21-9)16(18)12-7-14-15(8-13(12)17)20-5-3-4-19-14/h6-8,16H,3-5,18H2,1-2H3