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

Systemtic Name: 3-[5-methyl-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-pyrazol-1-yl]-1H-pyridazin-6-one Openeye Name: 3-[4-(4-benzylpiperazine-1-carbonyl)-5-methyl-pyrazol-1-yl]-1H-pyridazin-6-one CAS Name: 3-[5-methyl-4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1-pyrazolyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(4-benzylpiperazine-1-carbonyl)-5-methylpyrazol-1-yl]-1H-pyridazin-6-one Traditional Name: 3-[4-(4-benzylpiperazine-1-carbonyl)-5-methyl-pyrazol-1-yl]-1H-pyridazin-6-one Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O2/c1-15-17(13-21-26(15)18-7-8-19(27)23-22-18)20(28)25-11-9-24(10-12-25)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,23,27)