4-chloranyl-5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-phenyl-pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-4-chloro-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-phenyl-3-pyridazinone IUPAC Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-4-chloro-2-phenylpyridazin-3-one Traditional Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-4-chloro-2-phenyl-pyridazin-3-one Formula: C27H26ClN4O+ MolecularWeight: 457.97454

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C27H25ClN4O/c28-25-24(20-29-32(27(25)33)23-14-8-3-9-15-23)30-16-18-31(19-17-30)26(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-15,20,26H,16-19H2/p+1