3-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-5H-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 3-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-5H-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 3-[4-(2-pyridyl)piperazine-1-carbonyl]-5H-benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-5H-benzo[b][1,4]benzothiazepin-6-one IUPAC Name: 3-(4-pyridin-2-ylpiperazine-1-carbonyl)-5H-benzo[b][1,4]benzothiazepin-6-one Traditional Name: 3-[4-(2-pyridyl)piperazine-1-carbonyl]-5H-benzo[b][1,4]benzothiazepin-6-one Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C23H20N4O2S/c28-22-17-5-1-2-6-19(17)30-20-9-8-16(15-18(20)25-22)23(29)27-13-11-26(12-14-27)21-7-3-4-10-24-21/h1-10,15H,11-14H2,(H,25,28)