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

Systemtic Name: 4-chloranyl-5-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[4-(4-nitrobenzoyl)piperazin-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[4-[(4-nitrophenyl)-oxomethyl]-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[4-(4-nitrobenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[4-(4-nitrobenzoyl)piperazino]-2-phenyl-pyridazin-3-one Formula: C21H18ClN5O4 MolecularWeight: 439.85172

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN5O4/c22-19-18(14-23-26(21(19)29)16-4-2-1-3-5-16)24-10-12-25(13-11-24)20(28)15-6-8-17(9-7-15)27(30)31/h1-9,14H,10-13H2