2-[3-(3-chlorophenyl)propyl]-6-(4-fluoranyl-3-methyl-phenyl)-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one

Systemtic Name: 2-[3-(3-chlorophenyl)propyl]-6-(4-fluoranyl-3-methyl-phenyl)-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one Openeye Name: 2-[3-(3-chlorophenyl)propyl]-6-(4-fluoro-3-methyl-phenyl)-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one CAS Name: 2-[3-(3-chlorophenyl)propyl]-6-(4-fluoro-3-methylphenyl)-4-[(4-methyl-1-piperazinyl)methyl]-3-pyridazinone IUPAC Name: 2-[3-(3-chlorophenyl)propyl]-6-(4-fluoro-3-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one Traditional Name: 2-[3-(3-chlorophenyl)propyl]-6-(4-fluoro-3-methyl-phenyl)-4-[(4-methylpiperazino)methyl]pyridazin-3-one Formula: C26H30ClFN4O MolecularWeight: 468.994003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C(=O)C(=C2)CN3CCN(CC3)C)CCCC4=CC(=CC=C4)Cl)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C(=O)C(=C2)CN3CCN(CC3)C)CCCC4=CC(=CC=C4)Cl)F

InChI

InChI=1S/C26H30ClFN4O/c1-19-15-21(8-9-24(19)28)25-17-22(18-31-13-11-30(2)12-14-31)26(33)32(29-25)10-4-6-20-5-3-7-23(27)16-20/h3,5,7-9,15-17H,4,6,10-14,18H2,1-2H3