6-(3-bromophenyl)-9-fluoranyl-N-piperidin-1-yl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-(3-bromophenyl)-9-fluoranyl-N-piperidin-1-yl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-(3-bromophenyl)-9-fluoro-N-(1-piperidyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-(3-bromophenyl)-9-fluoro-N-(1-piperidinyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-(3-bromophenyl)-9-fluoro-N-piperidin-1-ylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-(3-bromophenyl)-9-fluoro-N-piperidino-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H21BrFN3OS MolecularWeight: 510.421143

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)NC(=O)C2=CC3=C(C=C2)SC4=C(C=CC(=C4)F)C(=N3)C5=CC(=CC=C5)Br

Isomeric SMILES

C1CCN(CC1)NC(=O)C2=CC3=C(C=C2)SC4=C(C=CC(=C4)F)C(=N3)C5=CC(=CC=C5)Br

InChI

InChI=1S/C25H21BrFN3OS/c26-18-6-4-5-16(13-18)24-20-9-8-19(27)15-23(20)32-22-10-7-17(14-21(22)28-24)25(31)29-30-11-2-1-3-12-30/h4-10,13-15H,1-3,11-12H2,(H,29,31)