5-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]benzothiazepin-6-one

Systemtic Name: 5-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]benzothiazepin-6-one Openeye Name: 5-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]pyrido[2,3-b][1,4]benzothiazepin-6-one CAS Name: 5-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-6-pyrido[2,3-b][1,4]benzothiazepinone IUPAC Name: 5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]benzothiazepin-6-one Traditional Name: 5-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]pyrido[2,3-b][1,4]benzothiazepin-6-one Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)CN3C4=C(N=CC=C4)SC5=CC=CC=C5C3=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)CN3C4=C(N=CC=C4)SC5=CC=CC=C5C3=O

InChI

InChI=1S/C23H21N5O2S/c29-21(27-14-12-26(13-15-27)20-9-3-4-10-24-20)16-28-18-7-5-11-25-22(18)31-19-8-2-1-6-17(19)23(28)30/h1-11H,12-16H2