5-[(3-fluorophenyl)methyl]-3-piperidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 5-[(3-fluorophenyl)methyl]-3-piperidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-[(3-fluorophenyl)methyl]-3-(piperidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-[(3-fluorophenyl)methyl]-3-[oxo(1-piperidinyl)methyl]-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-[(3-fluorophenyl)methyl]-3-(piperidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-(3-fluorobenzyl)-3-(piperidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Formula: C26H23FN2O2S MolecularWeight: 446.536423

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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=CC(=CC=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C26H23FN2O2S/c27-20-8-6-7-18(15-20)17-29-22-16-19(25(30)28-13-4-1-5-14-28)11-12-24(22)32-23-10-3-2-9-21(23)26(29)31/h2-3,6-12,15-16H,1,4-5,13-14,17H2