3-[4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]carbonyl-5-methyl-pyrazol-1-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]carbonyl-5-methyl-pyrazol-1-yl]-1H-pyridazin-6-one Openeye Name: 3-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-5-methyl-pyrazol-1-yl]-1H-pyridazin-6-one CAS Name: 3-[4-[[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-oxomethyl]-5-methyl-1-pyrazolyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one Traditional Name: 3-[4-[4-(4-chlorobenzyl)piperazine-1-carbonyl]-5-methyl-pyrazol-1-yl]-1H-pyridazin-6-one Formula: C20H21ClN6O2 MolecularWeight: 412.87274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NNC(=O)C=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C=NN1C2=NNC(=O)C=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H21ClN6O2/c1-14-17(12-22-27(14)18-6-7-19(28)24-23-18)20(29)26-10-8-25(9-11-26)13-15-2-4-16(21)5-3-15/h2-7,12H,8-11,13H2,1H3,(H,24,28)