N-[(5-bromanylthiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]ethanamine

Systemtic Name: N-[(5-bromanylthiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]ethanamine Openeye Name: N-[(5-bromo-2-thienyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]ethanamine CAS Name: N-[(5-bromo-2-thiophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]ethanamine IUPAC Name: N-[(5-bromothiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]ethanamine Traditional Name: [(5-bromo-2-thienyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-ethyl-amine Formula: C16H18BrNO2S MolecularWeight: 368.28862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(C1=CC2=C(C=C1)OCCCO2)C3=CC=C(S3)Br

Isomeric SMILES

CCNC(C1=CC2=C(C=C1)OCCCO2)C3=CC=C(S3)Br

InChI

InChI=1S/C16H18BrNO2S/c1-2-18-16(14-6-7-15(17)21-14)11-4-5-12-13(10-11)20-9-3-8-19-12/h4-7,10,16,18H,2-3,8-9H2,1H3