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

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-fluoranyl-aniline Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-fluoro-aniline CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-fluoroaniline IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-fluoroaniline Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(2-fluorophenyl)amine Formula: C16H15ClFNO2 MolecularWeight: 307.747203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC3=CC=CC=C3F)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC3=CC=CC=C3F)Cl)OC1

InChI

InChI=1S/C16H15ClFNO2/c17-12-8-11(9-15-16(12)21-7-3-6-20-15)10-19-14-5-2-1-4-13(14)18/h1-2,4-5,8-9,19H,3,6-7,10H2