4-chloranyl-2-[(4-fluorophenyl)methyl]-5-[4-(phenylmethyl)piperazin-1-yl]pyridazin-3-one

Systemtic Name: 4-chloranyl-2-[(4-fluorophenyl)methyl]-5-[4-(phenylmethyl)piperazin-1-yl]pyridazin-3-one Openeye Name: 5-(4-benzylpiperazin-1-yl)-4-chloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one CAS Name: 4-chloro-2-[(4-fluorophenyl)methyl]-5-[4-(phenylmethyl)-1-piperazinyl]-3-pyridazinone IUPAC Name: 5-(4-benzylpiperazin-1-yl)-4-chloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one Traditional Name: 5-(4-benzylpiperazino)-4-chloro-2-(4-fluorobenzyl)pyridazin-3-one Formula: C22H22ClFN4O MolecularWeight: 412.887683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=O)N(N=C3)CC4=CC=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=O)N(N=C3)CC4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C22H22ClFN4O/c23-21-20(14-25-28(22(21)29)16-18-6-8-19(24)9-7-18)27-12-10-26(11-13-27)15-17-4-2-1-3-5-17/h1-9,14H,10-13,15-16H2