6-(4-fluoranyl-3-methyl-phenyl)-2-(phenylmethyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one dihydrochloride

Systemtic Name: 6-(4-fluoranyl-3-methyl-phenyl)-2-(phenylmethyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one dihydrochloride Openeye Name: 2-benzyl-6-(4-fluoro-3-methyl-phenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one dihydrochloride CAS Name: 6-(4-fluoro-3-methylphenyl)-2-(phenylmethyl)-4-(1-piperazinylmethyl)-3-pyridazinone dihydrochloride IUPAC Name: 2-benzyl-6-(4-fluoro-3-methylphenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one dihydrochloride Traditional Name: 2-benzyl-6-(4-fluoro-3-methyl-phenyl)-4-(piperazinomethyl)pyridazin-3-one dihydrochloride Formula: C23H27Cl2FN4O MolecularWeight: 465.391083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C(=O)C(=C2)CN3CCNCC3)CC4=CC=CC=C4)F.Cl.Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C(=O)C(=C2)CN3CCNCC3)CC4=CC=CC=C4)F.Cl.Cl

InChI

InChI=1S/C23H25FN4O.2ClH/c1-17-13-19(7-8-21(17)24)22-14-20(16-27-11-9-25-10-12-27)23(29)28(26-22)15-18-5-3-2-4-6-18;;/h2-8,13-14,25H,9-12,15-16H2,1H3;2*1H