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

Systemtic Name: 4-chloranyl-5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(4-methoxyphenyl)pyridazin-3-one Openeye Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-4-chloro-2-(4-methoxyphenyl)pyridazin-3-one CAS Name: 4-chloro-5-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-(4-methoxyphenyl)-3-pyridazinone IUPAC Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-4-chloro-2-(4-methoxyphenyl)pyridazin-3-one Traditional Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-4-chloro-2-(4-methoxyphenyl)pyridazin-3-one Formula: C28H28ClN4O2+ MolecularWeight: 488.00052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C(=C(C=N2)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C(=C(C=N2)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C28H27ClN4O2/c1-35-24-14-12-23(13-15-24)33-28(34)26(29)25(20-30-33)31-16-18-32(19-17-31)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,20,27H,16-19H2,1H3/p+1