6-(4-fluorophenyl)-N-pyrrolidin-1-yl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-(4-fluorophenyl)-N-pyrrolidin-1-yl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-(4-fluorophenyl)-N-pyrrolidin-1-yl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-(4-fluorophenyl)-N-(1-pyrrolidinyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-(4-fluorophenyl)-N-pyrrolidin-1-ylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-(4-fluorophenyl)-N-pyrrolidino-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H20FN3OS MolecularWeight: 417.498503

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=N3)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCN(C1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=N3)C5=CC=C(C=C5)F

InChI

InChI=1S/C24H20FN3OS/c25-18-10-7-16(8-11-18)23-19-5-1-2-6-21(19)30-22-12-9-17(15-20(22)26-23)24(29)27-28-13-3-4-14-28/h1-2,5-12,15H,3-4,13-14H2,(H,27,29)