(2S,4S)-1-[(2S)-2-azanyl-2-cyclohexyl-ethanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile hydrochloride

Systemtic Name: (2S,4S)-1-[(2S)-2-azanyl-2-cyclohexyl-ethanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile hydrochloride Openeye Name: (2S,4S)-1-[(2S)-2-amino-2-cyclohexyl-acetyl]-4-fluoro-pyrrolidine-2-carbonitrile hydrochloride CAS Name: (2S,4S)-1-[(2S)-2-amino-2-cyclohexyl-1-oxoethyl]-4-fluoro-2-pyrrolidinecarbonitrile hydrochloride IUPAC Name: (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile hydrochloride Traditional Name: (2S,4S)-1-[(2S)-2-amino-2-cyclohexyl-acetyl]-4-fluoro-pyrrolidine-2-carbonitrile hydrochloride Formula: C13H21ClFN3O MolecularWeight: 289.776743

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)N2CC(CC2C#N)F)N.Cl

Isomeric SMILES

C1CCC(CC1)[C@@H](C(=O)N2C[C@H](C[C@H]2C#N)F)N.Cl

InChI

InChI=1S/C13H20FN3O.ClH/c14-10-6-11(7-15)17(8-10)13(18)12(16)9-4-2-1-3-5-9;/h9-12H,1-6,8,16H2;1H/t10-,11-,12-;/m0./s1