2-(4-methylphenyl)-6-[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbonyl]piperazin-1-yl]pyridazin-3-one

Systemtic Name: 2-(4-methylphenyl)-6-[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbonyl]piperazin-1-yl]pyridazin-3-one Openeye Name: 2-(p-tolyl)-6-[4-[5-(2-thienyl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]pyridazin-3-one CAS Name: 2-(4-methylphenyl)-6-[4-[oxo-(5-thiophen-2-yl-1H-pyrazol-3-yl)methyl]-1-piperazinyl]-3-pyridazinone IUPAC Name: 2-(4-methylphenyl)-6-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]pyridazin-3-one Traditional Name: 2-(p-tolyl)-6-[4-[5-(2-thienyl)-1H-pyrazole-3-carbonyl]piperazino]pyridazin-3-one Formula: C23H22N6O2S MolecularWeight: 446.52478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C=CC(=N2)N3CCN(CC3)C(=O)C4=NNC(=C4)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C=CC(=N2)N3CCN(CC3)C(=O)C4=NNC(=C4)C5=CC=CS5

InChI

InChI=1S/C23H22N6O2S/c1-16-4-6-17(7-5-16)29-22(30)9-8-21(26-29)27-10-12-28(13-11-27)23(31)19-15-18(24-25-19)20-3-2-14-32-20/h2-9,14-15H,10-13H2,1H3,(H,24,25)