4-(2-azanyl-3-oxidanylidene-3-pyrrolidin-1-yl-propyl)benzenecarbonitrile; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 4-(2-azanyl-3-oxidanylidene-3-pyrrolidin-1-yl-propyl)benzenecarbonitrile; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4-(2-amino-3-oxo-3-pyrrolidin-1-yl-propyl)benzonitrile; 2,2,2-trifluoroacetic acid CAS Name: 4-[2-amino-3-oxo-3-(1-pyrrolidinyl)propyl]benzonitrile; 2,2,2-trifluoroacetic acid IUPAC Name: 4-(2-amino-3-oxo-3-pyrrolidin-1-ylpropyl)benzonitrile; 2,2,2-trifluoroacetic acid Traditional Name: 4-(2-amino-3-keto-3-pyrrolidino-propyl)benzonitrile; 2,2,2-trifluoroacetic acid Formula: C16H18F3N3O3 MolecularWeight: 357.32763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(CC2=CC=C(C=C2)C#N)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CCN(C1)C(=O)C(CC2=CC=C(C=C2)C#N)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C14H17N3O.C2HF3O2/c15-10-12-5-3-11(4-6-12)9-13(16)14(18)17-7-1-2-8-17;3-2(4,5)1(6)7/h3-6,13H,1-2,7-9,16H2;(H,6,7)