(3,5-dinitrophenyl)-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methanone

Systemtic Name: (3,5-dinitrophenyl)-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methanone Openeye Name: (3,5-dinitrophenyl)-[4-[6-(p-tolyl)pyridazin-3-yl]piperazin-1-yl]methanone CAS Name: (3,5-dinitrophenyl)-[4-[6-(4-methylphenyl)-3-pyridazinyl]-1-piperazinyl]methanone IUPAC Name: (3,5-dinitrophenyl)-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methanone Traditional Name: (3,5-dinitrophenyl)-[4-[6-(p-tolyl)pyridazin-3-yl]piperazino]methanone Formula: C22H20N6O5 MolecularWeight: 448.4314

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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(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H20N6O5/c1-15-2-4-16(5-3-15)20-6-7-21(24-23-20)25-8-10-26(11-9-25)22(29)17-12-18(27(30)31)14-19(13-17)28(32)33/h2-7,12-14H,8-11H2,1H3