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

Systemtic Name: 5-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-3-piperidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-[(2-chloro-4-fluoro-phenyl)methyl]-3-(piperidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-[(2-chloro-4-fluorophenyl)methyl]-3-[oxo(1-piperidinyl)methyl]-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-[(2-chloro-4-fluorophenyl)methyl]-3-(piperidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-(2-chloro-4-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=C(C=C5)F)Cl

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=C(C=C(C=C5)F)Cl

InChI

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