4-chloranyl-5-[4-[2-(2-nitrophenyl)ethanoyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[4-[2-(2-nitrophenyl)ethanoyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[4-[2-(2-nitrophenyl)acetyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[4-[2-(2-nitrophenyl)-1-oxoethyl]-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[4-[2-(2-nitrophenyl)acetyl]piperazin-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[4-[2-(2-nitrophenyl)acetyl]piperazino]-2-phenyl-pyridazin-3-one Formula: C22H20ClN5O4 MolecularWeight: 453.8783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C(=O)CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C(=O)CC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H20ClN5O4/c23-21-19(15-24-27(22(21)30)17-7-2-1-3-8-17)25-10-12-26(13-11-25)20(29)14-16-6-4-5-9-18(16)28(31)32/h1-9,15H,10-14H2