2-(azepan-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone hydrochloride

Systemtic Name: 2-(azepan-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone hydrochloride Openeye Name: 2-(azepan-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone hydrochloride CAS Name: 2-(1-azepanyl)-1-[2-(trifluoromethyl)-10-phenothiazinyl]ethanone hydrochloride IUPAC Name: 2-(azepan-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone hydrochloride Traditional Name: 2-(azepan-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone hydrochloride Formula: C21H22ClF3N2OS MolecularWeight: 442.92539

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.Cl

Isomeric SMILES

C1CCCN(CC1)CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.Cl

InChI

InChI=1S/C21H21F3N2OS.ClH/c22-21(23,24)15-9-10-19-17(13-15)26(16-7-3-4-8-18(16)28-19)20(27)14-25-11-5-1-2-6-12-25;/h3-4,7-10,13H,1-2,5-6,11-12,14H2;1H