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

Systemtic Name: 3-fluoranyl-5-[(3-hydroxyphenyl)methyl]-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 3-fluoro-5-[(3-hydroxyphenyl)methyl]-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-6-one CAS Name: 3-fluoro-5-[(3-hydroxyphenyl)methyl]-10-(1-piperazinyl)-6-benzo[b][1,4]benzoxazepinone IUPAC Name: 3-fluoro-5-[(3-hydroxyphenyl)methyl]-10-piperazin-1-ylbenzo[b][1,4]benzoxazepin-6-one Traditional Name: 3-fluoro-5-(3-hydroxybenzyl)-10-piperazino-benzo[b][1,4]benzoxazepin-6-one Formula: C24H22FN3O3 MolecularWeight: 419.448183

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C24H22FN3O3/c25-17-7-8-22-21(14-17)28(15-16-3-1-4-18(29)13-16)24(30)19-5-2-6-20(23(19)31-22)27-11-9-26-10-12-27/h1-8,13-14,26,29H,9-12,15H2