5-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 5-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-[4-[4-(4-fluorophenyl)-1-piperazinyl]butyl]-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]benzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-[4-[4-(4-fluorophenyl)piperazino]butyl]benzo[b][1,4]benzothiazepin-6-one Formula: C27H28FN3OS MolecularWeight: 461.594123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C3=CC=CC=C3SC4=CC=CC=C4C2=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1CCCCN2C3=CC=CC=C3SC4=CC=CC=C4C2=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H28FN3OS/c28-21-11-13-22(14-12-21)30-19-17-29(18-20-30)15-5-6-16-31-24-8-2-4-10-26(24)33-25-9-3-1-7-23(25)27(31)32/h1-4,7-14H,5-6,15-20H2