1-[2-azanyl-3-methyl-3-[(3-phenoxyphenyl)methylsulfanyl]butanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile hydrochloride

Systemtic Name: 1-[2-azanyl-3-methyl-3-[(3-phenoxyphenyl)methylsulfanyl]butanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile hydrochloride Openeye Name: 1-[2-amino-3-methyl-3-[(3-phenoxyphenyl)methylsulfanyl]butanoyl]-4-fluoro-pyrrolidine-2-carbonitrile hydrochloride CAS Name: 1-[2-amino-3-methyl-1-oxo-3-[(3-phenoxyphenyl)methylthio]butyl]-4-fluoro-2-pyrrolidinecarbonitrile hydrochloride IUPAC Name: 1-[2-amino-3-methyl-3-[(3-phenoxyphenyl)methylsulfanyl]butanoyl]-4-fluoropyrrolidine-2-carbonitrile hydrochloride Traditional Name: 1-[2-amino-3-methyl-3-[(3-phenoxybenzyl)thio]butanoyl]-4-fluoro-pyrrolidine-2-carbonitrile hydrochloride Formula: C23H27ClFN3O2S MolecularWeight: 463.995783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)N1CC(CC1C#N)F)N)SCC2=CC(=CC=C2)OC3=CC=CC=C3.Cl

Isomeric SMILES

CC(C)(C(C(=O)N1CC(CC1C#N)F)N)SCC2=CC(=CC=C2)OC3=CC=CC=C3.Cl

InChI

InChI=1S/C23H26FN3O2S.ClH/c1-23(2,21(26)22(28)27-14-17(24)12-18(27)13-25)30-15-16-7-6-10-20(11-16)29-19-8-4-3-5-9-19;/h3-11,17-18,21H,12,14-15,26H2,1-2H3;1H