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

Systemtic Name: 3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonyl]-5H-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 3-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5H-benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-[oxo-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5H-benzo[b][1,4]benzothiazepin-6-one IUPAC Name: 3-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5H-benzo[b][1,4]benzothiazepin-6-one Traditional Name: 3-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5H-benzo[b][1,4]benzothiazepin-6-one Formula: C25H20N2O2S MolecularWeight: 412.5035

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4

Isomeric SMILES

C1CN(CC=C1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C25H20N2O2S/c28-24-20-8-4-5-9-22(20)30-23-11-10-19(16-21(23)26-24)25(29)27-14-12-18(13-15-27)17-6-2-1-3-7-17/h1-12,16H,13-15H2,(H,26,28)