6-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-(1-piperidyl)-N-(3-pyridylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-(1-piperidinyl)-N-(3-pyridinylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-piperidino-N-(3-pyridylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H24N4OS MolecularWeight: 428.54926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC3=C(C=CC(=C3)C(=O)NCC4=CN=CC=C4)SC5=CC=CC=C52

Isomeric SMILES

C1CCN(CC1)C2=NC3=C(C=CC(=C3)C(=O)NCC4=CN=CC=C4)SC5=CC=CC=C52

InChI

InChI=1S/C25H24N4OS/c30-25(27-17-18-7-6-12-26-16-18)19-10-11-23-21(15-19)28-24(29-13-4-1-5-14-29)20-8-2-3-9-22(20)31-23/h2-3,6-12,15-16H,1,4-5,13-14,17H2,(H,27,30)