(4-chloranyl-3-nitro-phenyl)-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methanone

Systemtic Name: (4-chloranyl-3-nitro-phenyl)-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methanone Openeye Name: (4-chloro-3-nitro-phenyl)-[4-[6-(p-tolyl)pyridazin-3-yl]piperazin-1-yl]methanone CAS Name: (4-chloro-3-nitrophenyl)-[4-[6-(4-methylphenyl)-3-pyridazinyl]-1-piperazinyl]methanone IUPAC Name: (4-chloro-3-nitrophenyl)-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methanone Traditional Name: (4-chloro-3-nitro-phenyl)-[4-[6-(p-tolyl)pyridazin-3-yl]piperazino]methanone Formula: C22H20ClN5O3 MolecularWeight: 437.8789

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN5O3/c1-15-2-4-16(5-3-15)19-8-9-21(25-24-19)26-10-12-27(13-11-26)22(29)17-6-7-18(23)20(14-17)28(30)31/h2-9,14H,10-13H2,1H3