3-[(5-chloranylpyridin-2-yl)amino]-1-ethanoyl-2-(ethylamino)-4-fluoranyl-pyrrolidine-2-carbonitrile dihydrochloride

Systemtic Name: 3-[(5-chloranylpyridin-2-yl)amino]-1-ethanoyl-2-(ethylamino)-4-fluoranyl-pyrrolidine-2-carbonitrile dihydrochloride Openeye Name: 1-acetyl-3-[(5-chloro-2-pyridyl)amino]-2-(ethylamino)-4-fluoro-pyrrolidine-2-carbonitrile dihydrochloride CAS Name: 1-acetyl-3-[(5-chloro-2-pyridinyl)amino]-2-(ethylamino)-4-fluoro-2-pyrrolidinecarbonitrile dihydrochloride IUPAC Name: 1-acetyl-3-[(5-chloropyridin-2-yl)amino]-2-(ethylamino)-4-fluoropyrrolidine-2-carbonitrile dihydrochloride Traditional Name: 1-acetyl-3-[(5-chloro-2-pyridyl)amino]-2-(ethylamino)-4-fluoro-pyrrolidine-2-carbonitrile dihydrochloride Formula: C14H19Cl3FN5O MolecularWeight: 398.690963

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1(C(C(CN1C(=O)C)F)NC2=NC=C(C=C2)Cl)C#N.Cl.Cl

Isomeric SMILES

CCNC1(C(C(CN1C(=O)C)F)NC2=NC=C(C=C2)Cl)C#N.Cl.Cl

InChI

InChI=1S/C14H17ClFN5O.2ClH/c1-3-19-14(8-17)13(11(16)7-21(14)9(2)22)20-12-5-4-10(15)6-18-12;;/h4-6,11,13,19H,3,7H2,1-2H3,(H,18,20);2*1H