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

Systemtic Name: 5-[(3-chlorophenyl)methyl]-3-fluoranyl-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 5-[(3-chlorophenyl)methyl]-3-fluoro-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-6-one CAS Name: 5-[(3-chlorophenyl)methyl]-3-fluoro-10-(1-piperazinyl)-6-benzo[b][1,4]benzoxazepinone IUPAC Name: 5-[(3-chlorophenyl)methyl]-3-fluoro-10-piperazin-1-ylbenzo[b][1,4]benzoxazepin-6-one Traditional Name: 5-(3-chlorobenzyl)-3-fluoro-10-piperazino-benzo[b][1,4]benzoxazepin-6-one Formula: C24H21ClFN3O2 MolecularWeight: 437.893843

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(=CC=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H21ClFN3O2/c25-17-4-1-3-16(13-17)15-29-21-14-18(26)7-8-22(21)31-23-19(24(29)30)5-2-6-20(23)28-11-9-27-10-12-28/h1-8,13-14,27H,9-12,15H2