5-[[(3R,4R)-3-azanyl-4-pyrrolidin-1-ylcarbonyl-pyrrolidin-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 5-[[(3R,4R)-3-azanyl-4-pyrrolidin-1-ylcarbonyl-pyrrolidin-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 5-[[(3R,4R)-3-amino-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]methyl]-2-fluoro-benzonitrile CAS Name: 5-[[(3R,4R)-3-amino-4-[oxo(1-pyrrolidinyl)methyl]-1-pyrrolidinyl]methyl]-2-fluorobenzonitrile IUPAC Name: 5-[[(3R,4R)-3-amino-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]methyl]-2-fluorobenzonitrile Traditional Name: 5-[[(3R,4R)-3-amino-4-(pyrrolidine-1-carbonyl)pyrrolidino]methyl]-2-fluoro-benzonitrile Formula: C17H21FN4O MolecularWeight: 316.373243

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CN(CC2N)CC3=CC(=C(C=C3)F)C#N

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H]2CN(C[C@@H]2N)CC3=CC(=C(C=C3)F)C#N

InChI

InChI=1S/C17H21FN4O/c18-15-4-3-12(7-13(15)8-19)9-21-10-14(16(20)11-21)17(23)22-5-1-2-6-22/h3-4,7,14,16H,1-2,5-6,9-11,20H2/t14-,16+/m1/s1