3-fluoranyl-5-[(4-fluorophenyl)methyl]-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-6-one

Systemtic Name: 3-fluoranyl-5-[(4-fluorophenyl)methyl]-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 3-fluoro-5-[(4-fluorophenyl)methyl]-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-6-one CAS Name: 3-fluoro-5-[(4-fluorophenyl)methyl]-10-(1-piperazinyl)-6-benzo[b][1,4]benzoxazepinone IUPAC Name: 3-fluoro-5-[(4-fluorophenyl)methyl]-10-piperazin-1-ylbenzo[b][1,4]benzoxazepin-6-one Traditional Name: 3-fluoro-5-(4-fluorobenzyl)-10-piperazino-benzo[b][1,4]benzoxazepin-6-one Formula: C24H21F2N3O2 MolecularWeight: 421.439246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=CC3=C2OC4=C(C=C(C=C4)F)N(C3=O)CC5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1)C2=CC=CC3=C2OC4=C(C=C(C=C4)F)N(C3=O)CC5=CC=C(C=C5)F

InChI

InChI=1S/C24H21F2N3O2/c25-17-6-4-16(5-7-17)15-29-21-14-18(26)8-9-22(21)31-23-19(24(29)30)2-1-3-20(23)28-12-10-27-11-13-28/h1-9,14,27H,10-13,15H2