6-(4-nitrophenyl)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one

Systemtic Name: 6-(4-nitrophenyl)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one Openeye Name: 6-(4-nitrophenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one CAS Name: 6-(4-nitrophenyl)-2-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3-pyridazinone IUPAC Name: 6-(4-nitrophenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one Traditional Name: 2-[2-keto-2-(4-phenylpiperazino)ethyl]-6-(4-nitrophenyl)pyridazin-3-one Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C(=O)C=CC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C(=O)C=CC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O4/c28-21-11-10-20(17-6-8-19(9-7-17)27(30)31)23-26(21)16-22(29)25-14-12-24(13-15-25)18-4-2-1-3-5-18/h1-11H,12-16H2