1-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-1-methyl-3-(2-nitrophenyl)urea

Systemtic Name: 1-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-1-methyl-3-(2-nitrophenyl)urea Openeye Name: 1-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-1-methyl-3-(2-nitrophenyl)urea CAS Name: 1-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-1-methyl-3-(2-nitrophenyl)urea IUPAC Name: 1-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-1-methyl-3-(2-nitrophenyl)urea Traditional Name: 1-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-1-methyl-3-(2-nitrophenyl)urea Formula: C20H20FN5O3 MolecularWeight: 397.402903

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=CC(=NN1)C2=CC=C(C=C2)F)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CN(CCCC1=CC(=NN1)C2=CC=C(C=C2)F)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H20FN5O3/c1-25(20(27)22-17-6-2-3-7-19(17)26(28)29)12-4-5-16-13-18(24-23-16)14-8-10-15(21)11-9-14/h2-3,6-11,13H,4-5,12H2,1H3,(H,22,27)(H,23,24)