5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-piperidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-piperidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-[(2-chloro-6-fluoro-phenyl)methyl]-3-(piperidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-[(2-chloro-6-fluorophenyl)methyl]-3-[oxo(1-piperidinyl)methyl]-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-[(2-chloro-6-fluorophenyl)methyl]-3-(piperidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-(2-chloro-6-fluoro-benzyl)-3-(piperidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Formula: C26H22ClFN2O2S MolecularWeight: 480.981483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=C(C=CC=C5Cl)F

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=C(C=CC=C5Cl)F

InChI

InChI=1S/C26H22ClFN2O2S/c27-20-8-6-9-21(28)19(20)16-30-22-15-17(25(31)29-13-4-1-5-14-29)11-12-24(22)33-23-10-3-2-7-18(23)26(30)32/h2-3,6-12,15H,1,4-5,13-14,16H2