2-azanyl-1-butanoyl-4-fluoranyl-3-phenylmethoxy-pyrrolidine-2-carbonitrile hydrochloride

Systemtic Name: 2-azanyl-1-butanoyl-4-fluoranyl-3-phenylmethoxy-pyrrolidine-2-carbonitrile hydrochloride Openeye Name: 2-amino-3-benzyloxy-1-butanoyl-4-fluoro-pyrrolidine-2-carbonitrile hydrochloride CAS Name: 2-amino-4-fluoro-1-(1-oxobutyl)-3-phenylmethoxy-2-pyrrolidinecarbonitrile hydrochloride IUPAC Name: 2-amino-1-butanoyl-4-fluoro-3-phenylmethoxypyrrolidine-2-carbonitrile hydrochloride Traditional Name: 2-amino-3-benzoxy-1-butyryl-4-fluoro-pyrrolidine-2-carbonitrile hydrochloride Formula: C16H21ClFN3O2 MolecularWeight: 341.808243

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CC(C(C1(C#N)N)OCC2=CC=CC=C2)F.Cl

Isomeric SMILES

CCCC(=O)N1CC(C(C1(C#N)N)OCC2=CC=CC=C2)F.Cl

InChI

InChI=1S/C16H20FN3O2.ClH/c1-2-6-14(21)20-9-13(17)15(16(20,19)11-18)22-10-12-7-4-3-5-8-12;/h3-5,7-8,13,15H,2,6,9-10,19H2,1H3;1H