5-[4-[(4-fluoranyl-3-methyl-phenyl)methyl]piperazin-1-yl]-2-phenyl-4-phenylmethoxy-pyridazin-3-one

Systemtic Name: 5-[4-[(4-fluoranyl-3-methyl-phenyl)methyl]piperazin-1-yl]-2-phenyl-4-phenylmethoxy-pyridazin-3-one Openeye Name: 4-benzyloxy-5-[4-[(4-fluoro-3-methyl-phenyl)methyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 5-[4-[(4-fluoro-3-methylphenyl)methyl]-1-piperazinyl]-2-phenyl-4-phenylmethoxy-3-pyridazinone IUPAC Name: 5-[4-[(4-fluoro-3-methylphenyl)methyl]piperazin-1-yl]-2-phenyl-4-phenylmethoxypyridazin-3-one Traditional Name: 4-benzoxy-5-[4-(4-fluoro-3-methyl-benzyl)piperazino]-2-phenyl-pyridazin-3-one Formula: C29H29FN4O2 MolecularWeight: 484.564563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)OCC5=CC=CC=C5)F

Isomeric SMILES

CC1=C(C=CC(=C1)CN2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)OCC5=CC=CC=C5)F

InChI

InChI=1S/C29H29FN4O2/c1-22-18-24(12-13-26(22)30)20-32-14-16-33(17-15-32)27-19-31-34(25-10-6-3-7-11-25)29(35)28(27)36-21-23-8-4-2-5-9-23/h2-13,18-19H,14-17,20-21H2,1H3