[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone

Systemtic Name: [4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [4-[6-(4-fluorophenyl)-3-pyridazinyl]-1-piperazinyl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazino]-(4-methyl-3-nitro-phenyl)methanone Formula: C22H20FN5O3 MolecularWeight: 421.424303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C22H20FN5O3/c1-15-2-3-17(14-20(15)28(30)31)22(29)27-12-10-26(11-13-27)21-9-8-19(24-25-21)16-4-6-18(23)7-5-16/h2-9,14H,10-13H2,1H3