N-[5-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]-2-fluoranyl-phenyl]-3-morpholin-4-yl-propanamide

Systemtic Name: N-[5-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]-2-fluoranyl-phenyl]-3-morpholin-4-yl-propanamide Openeye Name: N-[5-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-2-fluoro-phenyl]-3-morpholino-propanamide CAS Name: N-[5-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-2-fluorophenyl]-3-(4-morpholinyl)propanamide IUPAC Name: N-[5-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-2-fluorophenyl]-3-morpholin-4-ylpropanamide Traditional Name: N-[5-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-2-fluoro-phenyl]-3-morpholino-propionamide Formula: C20H25FN6O5 MolecularWeight: 448.448103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC(=C(C=C2)F)NC(=O)CCN3CCOCC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC(=C(C=C2)F)NC(=O)CCN3CCOCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H25FN6O5/c1-13-20(27(30)31)14(2)26(24-13)12-19(29)22-15-3-4-16(21)17(11-15)23-18(28)5-6-25-7-9-32-10-8-25/h3-4,11H,5-10,12H2,1-2H3,(H,22,29)(H,23,28)