7-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[oxo-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C20H19F3N4O2S MolecularWeight: 436.45067

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F)NC1=O

InChI

InChI=1S/C20H19F3N4O2S/c21-20(22,23)14-2-4-17(24-12-14)26-6-8-27(9-7-26)19(29)13-1-3-16-15(11-13)25-18(28)5-10-30-16/h1-4,11-12H,5-10H2,(H,25,28)