N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]ethanamine

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]ethanamine Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]ethanamine CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]ethanamine IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]ethanamine Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-ethyl-amine Formula: C12H16ClNO2 MolecularWeight: 241.71394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=CC2=C(C(=C1)Cl)OCCCO2

Isomeric SMILES

CCNCC1=CC2=C(C(=C1)Cl)OCCCO2

InChI

InChI=1S/C12H16ClNO2/c1-2-14-8-9-6-10(13)12-11(7-9)15-4-3-5-16-12/h6-7,14H,2-5,8H2,1H3