3-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]azepan-2-one

Systemtic Name: 3-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]azepan-2-one Openeye Name: 3-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]azepan-2-one CAS Name: 3-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-2-azepanone IUPAC Name: 3-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]azepan-2-one Traditional Name: 3-[[4-(3-fluorobenzyl)oxybenzyl]amino]azepan-2-one Formula: C20H23FN2O2 MolecularWeight: 342.407223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NCC2=CC=C(C=C2)OCC3=CC(=CC=C3)F

Isomeric SMILES

C1CCNC(=O)C(C1)NCC2=CC=C(C=C2)OCC3=CC(=CC=C3)F

InChI

InChI=1S/C20H23FN2O2/c21-17-5-3-4-16(12-17)14-25-18-9-7-15(8-10-18)13-23-19-6-1-2-11-22-20(19)24/h3-5,7-10,12,19,23H,1-2,6,11,13-14H2,(H,22,24)