5-(5-chloranylpyridin-2-yl)-N-piperidin-1-yl-pyrazino[2,3-b][1,5]benzothiazepine-8-carboxamide

Systemtic Name: 5-(5-chloranylpyridin-2-yl)-N-piperidin-1-yl-pyrazino[2,3-b][1,5]benzothiazepine-8-carboxamide Openeye Name: 5-(5-chloro-2-pyridyl)-N-(1-piperidyl)pyrazino[2,3-b][1,5]benzothiazepine-8-carboxamide CAS Name: 5-(5-chloro-2-pyridinyl)-N-(1-piperidinyl)-8-pyrazino[2,3-b][1,5]benzothiazepinecarboxamide IUPAC Name: 5-(5-chloropyridin-2-yl)-N-piperidin-1-ylpyrazino[2,3-b][1,5]benzothiazepine-8-carboxamide Traditional Name: 5-(5-chloro-2-pyridyl)-N-piperidino-pyrazino[2,3-b][1,5]benzothiazepine-8-carboxamide Formula: C22H19ClN6OS MolecularWeight: 450.94386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)NC(=O)C2=CC3=C(C=C2)SC4=NC=CN=C4C(=N3)C5=NC=C(C=C5)Cl

Isomeric SMILES

C1CCN(CC1)NC(=O)C2=CC3=C(C=C2)SC4=NC=CN=C4C(=N3)C5=NC=C(C=C5)Cl

InChI

InChI=1S/C22H19ClN6OS/c23-15-5-6-16(26-13-15)19-20-22(25-9-8-24-20)31-18-7-4-14(12-17(18)27-19)21(30)28-29-10-2-1-3-11-29/h4-9,12-13H,1-3,10-11H2,(H,28,30)