4-[[4-[1-(6-chloranylpyridazin-3-yl)piperidin-3-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[1-(6-chloranylpyridazin-3-yl)piperidin-3-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[1-(6-chloro-3-pyridazinyl)-3-piperidinyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[1-(6-chloropyridazin-3-yl)nipecotoyl]piperazino]methyl]benzonitrile Formula: C22H25ClN6O MolecularWeight: 424.9265

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NN=C(C=C2)Cl)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC(CN(C1)C2=NN=C(C=C2)Cl)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H25ClN6O/c23-20-7-8-21(26-25-20)29-9-1-2-19(16-29)22(30)28-12-10-27(11-13-28)15-18-5-3-17(14-24)4-6-18/h3-8,19H,1-2,9-13,15-16H2