1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-2-phenylsulfanyl-propan-1-one

Systemtic Name: 1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-2-phenylsulfanyl-propan-1-one Openeye Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]-2-phenylsulfanyl-propan-1-one CAS Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-2-(phenylthio)-1-propanone IUPAC Name: 1-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-2-phenylsulfanylpropan-1-one Traditional Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]-2-(phenylthio)propan-1-one Formula: C20H21ClF3N3OS MolecularWeight: 443.91345

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl)SC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl)SC3=CC=CC=C3

InChI

InChI=1S/C20H21ClF3N3OS/c1-14(29-16-6-3-2-4-7-16)19(28)27-9-5-8-26(10-11-27)18-17(21)12-15(13-25-18)20(22,23)24/h2-4,6-7,12-14H,5,8-11H2,1H3