1-[4-[(4-cyano-2-fluoranyl-phenyl)amino]pyrrolidin-2-yl]carbonylpyrrolidine-2-carbonitrile hydrochloride

Systemtic Name: 1-[4-[(4-cyano-2-fluoranyl-phenyl)amino]pyrrolidin-2-yl]carbonylpyrrolidine-2-carbonitrile hydrochloride Openeye Name: 1-[4-(4-cyano-2-fluoro-anilino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile hydrochloride CAS Name: 1-[[4-(4-cyano-2-fluoroanilino)-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarbonitrile hydrochloride IUPAC Name: 1-[4-(4-cyano-2-fluoroanilino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile hydrochloride Traditional Name: 1-[4-(4-cyano-2-fluoro-anilino)prolyl]pyrrolidine-2-carbonitrile hydrochloride Formula: C17H19ClFN5O MolecularWeight: 363.817063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18FN5O.ClH/c18-14-6-11(8-19)3-4-15(14)22-12-7-16(21-10-12)17(24)23-5-1-2-13(23)9-20;/h3-4,6,12-13,16,21-22H,1-2,5,7,10H2;1H