1-(2-fluoranyl-4-methyl-phenyl)-4-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonyl-pyrrolidin-2-one

Systemtic Name: 1-(2-fluoranyl-4-methyl-phenyl)-4-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonyl-pyrrolidin-2-one Openeye Name: 1-(2-fluoro-4-methyl-phenyl)-4-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]pyrrolidin-2-one CAS Name: 1-(2-fluoro-4-methylphenyl)-4-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-oxomethyl]-2-pyrrolidinone IUPAC Name: 1-(2-fluoro-4-methylphenyl)-4-[4-(6-nitropyridin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one Traditional Name: 1-(2-fluoro-4-methyl-phenyl)-4-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]-2-pyrrolidone Formula: C21H22FN5O4 MolecularWeight: 427.428883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-])F

Isomeric SMILES

CC1=CC(=C(C=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-])F

InChI

InChI=1S/C21H22FN5O4/c1-14-2-4-18(17(22)10-14)26-13-15(11-20(26)28)21(29)25-8-6-24(7-9-25)16-3-5-19(23-12-16)27(30)31/h2-5,10,12,15H,6-9,11,13H2,1H3