4-[[4-[5-methyl-1-(6-oxidanylidene-1H-pyridazin-3-yl)pyrazol-4-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[5-methyl-1-(6-oxidanylidene-1H-pyridazin-3-yl)pyrazol-4-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-4-pyrazolyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[1-(6-keto-1H-pyridazin-3-yl)-5-methyl-pyrazole-4-carbonyl]piperazino]methyl]benzonitrile Formula: C21H21N7O2 MolecularWeight: 403.43714

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H21N7O2/c1-15-18(13-23-28(15)19-6-7-20(29)25-24-19)21(30)27-10-8-26(9-11-27)14-17-4-2-16(12-22)3-5-17/h2-7,13H,8-11,14H2,1H3,(H,25,29)