1-(4-phenylazanylpyrrolidin-2-yl)carbonylpyrrolidine-2-carbonitrile; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 1-(4-phenylazanylpyrrolidin-2-yl)carbonylpyrrolidine-2-carbonitrile; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 1-(4-anilinopyrrolidine-2-carbonyl)pyrrolidine-2-carbonitrile; 2,2,2-trifluoroacetic acid CAS Name: 1-[(4-anilino-2-pyrrolidinyl)-oxomethyl]-2-pyrrolidinecarbonitrile; 2,2,2-trifluoroacetic acid IUPAC Name: 1-(4-anilinopyrrolidine-2-carbonyl)pyrrolidine-2-carbonitrile; 2,2,2-trifluoroacetic acid Traditional Name: 1-(4-anilinoprolyl)pyrrolidine-2-carbonitrile; 2,2,2-trifluoroacetic acid Formula: C18H21F3N4O3 MolecularWeight: 398.37955

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CC(CN2)NC3=CC=CC=C3)C#N.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CC(N(C1)C(=O)C2CC(CN2)NC3=CC=CC=C3)C#N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C16H20N4O.C2HF3O2/c17-10-14-7-4-8-20(14)16(21)15-9-13(11-18-15)19-12-5-2-1-3-6-12;3-2(4,5)1(6)7/h1-3,5-6,13-15,18-19H,4,7-9,11H2;(H,6,7)