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

Systemtic Name: 5-[4-(4-azanyl-3-nitro-phenyl)carbonylpiperazin-1-yl]-4-chloranyl-2-phenyl-pyridazin-3-one Openeye Name: 5-[4-(4-amino-3-nitro-benzoyl)piperazin-1-yl]-4-chloro-2-phenyl-pyridazin-3-one CAS Name: 5-[4-[(4-amino-3-nitrophenyl)-oxomethyl]-1-piperazinyl]-4-chloro-2-phenyl-3-pyridazinone IUPAC Name: 5-[4-(4-amino-3-nitrobenzoyl)piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one Traditional Name: 5-[4-(4-amino-3-nitro-benzoyl)piperazino]-4-chloro-2-phenyl-pyridazin-3-one Formula: C21H19ClN6O4 MolecularWeight: 454.86636

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

InChI

InChI=1S/C21H19ClN6O4/c22-19-18(13-24-27(21(19)30)15-4-2-1-3-5-15)25-8-10-26(11-9-25)20(29)14-6-7-16(23)17(12-14)28(31)32/h1-7,12-13H,8-11,23H2