(phenylmethyl) N-[6-(2-azanyl-2-cyano-4-fluoranyl-pyrrolidin-1-yl)-6-oxidanylidene-hexyl]carbamate hydrochloride

Systemtic Name: (phenylmethyl) N-[6-(2-azanyl-2-cyano-4-fluoranyl-pyrrolidin-1-yl)-6-oxidanylidene-hexyl]carbamate hydrochloride Openeye Name: benzyl N-[6-(2-amino-2-cyano-4-fluoro-pyrrolidin-1-yl)-6-oxo-hexyl]carbamate hydrochloride CAS Name: N-[6-(2-amino-2-cyano-4-fluoro-1-pyrrolidinyl)-6-oxohexyl]carbamic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl N-[6-(2-amino-2-cyano-4-fluoropyrrolidin-1-yl)-6-oxohexyl]carbamate hydrochloride Traditional Name: N-[6-(2-amino-2-cyano-4-fluoro-pyrrolidino)-6-keto-hexyl]carbamic acid benzyl ester hydrochloride Formula: C19H26ClFN4O3 MolecularWeight: 412.886143

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1(C#N)N)C(=O)CCCCCNC(=O)OCC2=CC=CC=C2)F.Cl

Isomeric SMILES

C1C(CN(C1(C#N)N)C(=O)CCCCCNC(=O)OCC2=CC=CC=C2)F.Cl

InChI

InChI=1S/C19H25FN4O3.ClH/c20-16-11-19(22,14-21)24(12-16)17(25)9-5-2-6-10-23-18(26)27-13-15-7-3-1-4-8-15;/h1,3-4,7-8,16H,2,5-6,9-13,22H2,(H,23,26);1H