7-chloranyl-2-[[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[4-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[4-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-1-piperazin-1-iumyl]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[4-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate Formula: C23H20Cl2N6O2 MolecularWeight: 483.3499

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=C(C=CC(=C3)Cl)C(=N2)[O-])C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(C=CC(=C3)Cl)C(=N2)[O-])C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C23H20Cl2N6O2/c24-15-6-7-17-18(12-15)27-20(28-22(17)32)14-29-8-10-30(11-9-29)19-13-26-31(23(33)21(19)25)16-4-2-1-3-5-16/h1-7,12-13H,8-11,14H2,(H,27,28,32)