[4-[6-(2,4-dimethylphenyl)pyridazin-3-yl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone

Systemtic Name: [4-[6-(2,4-dimethylphenyl)pyridazin-3-yl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [4-[6-(2,4-dimethylphenyl)pyridazin-3-yl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [4-[6-(2,4-dimethylphenyl)-3-pyridazinyl]-1-piperazinyl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [4-[6-(2,4-dimethylphenyl)pyridazin-3-yl]piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [4-[6-(2,4-dimethylphenyl)pyridazin-3-yl]piperazino]-(4-methyl-3-nitro-phenyl)methanone Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-])C

InChI

InChI=1S/C24H25N5O3/c1-16-4-7-20(18(3)14-16)21-8-9-23(26-25-21)27-10-12-28(13-11-27)24(30)19-6-5-17(2)22(15-19)29(31)32/h4-9,14-15H,10-13H2,1-3H3