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

Systemtic Name: 1-(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-methyl-1-thiophen-3-yl-methanamine Openeye Name: 1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-methyl-1-(3-thienyl)methanamine CAS Name: 1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-methyl-1-(3-thiophenyl)methanamine IUPAC Name: 1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-methyl-1-thiophen-3-ylmethanamine Traditional Name: [(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(3-thienyl)methyl]-methyl-amine Formula: C15H16BrNO2S MolecularWeight: 354.26204

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Descriptors Computed from Structure

Canonical SMILES:

CNC(C1=CSC=C1)C2=CC3=C(C=C2Br)OCCCO3

Isomeric SMILES

CNC(C1=CSC=C1)C2=CC3=C(C=C2Br)OCCCO3

InChI

InChI=1S/C15H16BrNO2S/c1-17-15(10-3-6-20-9-10)11-7-13-14(8-12(11)16)19-5-2-4-18-13/h3,6-9,15,17H,2,4-5H2,1H3