4-chloranyl-5-[4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazin-4-ium-1-yl]-2-phenyl-pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazin-4-ium-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazin-4-ium-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-piperazin-4-iumyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazin-4-ium-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazin-4-ium-1-yl]-2-phenyl-pyridazin-3-one Formula: C24H25Cl2N4O3+ MolecularWeight: 488.3863

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C[NH+]3CCN(CC3)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C[NH+]3CCN(CC3)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl)Cl)OC1

InChI

InChI=1S/C24H24Cl2N4O3/c25-19-13-17(14-21-23(19)33-12-4-11-32-21)16-28-7-9-29(10-8-28)20-15-27-30(24(31)22(20)26)18-5-2-1-3-6-18/h1-3,5-6,13-15H,4,7-12,16H2/p+1