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

Systemtic Name: 4-chloranyl-5-[4-(3-nitrophenyl)carbonylpiperazin-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[4-(3-nitrobenzoyl)piperazin-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[4-[(3-nitrophenyl)-oxomethyl]-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[4-(3-nitrobenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[4-(3-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(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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