2-azanyl-1-(3,3-dimethylbutanoyl)-4-fluoranyl-pyrrolidine-2-carbonitrile hydrate hydrobromide

Systemtic Name: 2-azanyl-1-(3,3-dimethylbutanoyl)-4-fluoranyl-pyrrolidine-2-carbonitrile hydrate hydrobromide Openeye Name: 2-amino-1-(3,3-dimethylbutanoyl)-4-fluoro-pyrrolidine-2-carbonitrile hydrate hydrobromide CAS Name: 2-amino-1-(3,3-dimethyl-1-oxobutyl)-4-fluoro-2-pyrrolidinecarbonitrile hydrate hydrobromide IUPAC Name: 2-amino-1-(3,3-dimethylbutanoyl)-4-fluoropyrrolidine-2-carbonitrile hydrate hydrobromide Traditional Name: 2-amino-1-(3,3-dimethylbutanoyl)-4-fluoro-pyrrolidine-2-carbonitrile hydrate hydrobromide Formula: C11H21BrFN3O2 MolecularWeight: 326.205743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CC(CC1(C#N)N)F.O.Br

Isomeric SMILES

CC(C)(C)CC(=O)N1CC(CC1(C#N)N)F.O.Br

InChI

InChI=1S/C11H18FN3O.BrH.H2O/c1-10(2,3)5-9(16)15-6-8(12)4-11(15,14)7-13;;/h8H,4-6,14H2,1-3H3;1H;1H2