1-(2-fluoranyl-4-methyl-phenyl)-5-oxidanylidene-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]pyrrolidine-3-carboxamide

Systemtic Name: 1-(2-fluoranyl-4-methyl-phenyl)-5-oxidanylidene-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]pyrrolidine-3-carboxamide Openeye Name: 1-(2-fluoro-4-methyl-phenyl)-5-oxo-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]pyrrolidine-3-carboxamide CAS Name: 1-(2-fluoro-4-methylphenyl)-5-oxo-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(2-fluoro-4-methylphenyl)-5-oxo-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]pyrrolidine-3-carboxamide Traditional Name: 1-(2-fluoro-4-methyl-phenyl)-5-keto-N-[6-(3-ketopiperazino)-3-pyridyl]pyrrolidine-3-carboxamide Formula: C21H22FN5O3 MolecularWeight: 411.429483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CC(CC2=O)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4)F

Isomeric SMILES

CC1=CC(=C(C=C1)N2CC(CC2=O)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4)F

InChI

InChI=1S/C21H22FN5O3/c1-13-2-4-17(16(22)8-13)27-11-14(9-20(27)29)21(30)25-15-3-5-18(24-10-15)26-7-6-23-19(28)12-26/h2-5,8,10,14H,6-7,9,11-12H2,1H3,(H,23,28)(H,25,30)