2-[4-[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]carbonylpiperazin-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]carbonylpiperazin-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carbonyl]piperazin-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-[[5-ethyl-1-(6-methoxy-3-pyridazinyl)-4-pyrazolyl]-oxomethyl]-1-piperazinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carbonyl]piperazin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carbonyl]piperazino]-6-fluoro-benzonitrile Formula: C22H22FN7O2 MolecularWeight: 435.454183

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=NN=C(C=C2)OC)C(=O)N3CCN(CC3)C4=C(C(=CC=C4)F)C#N

Isomeric SMILES

CCC1=C(C=NN1C2=NN=C(C=C2)OC)C(=O)N3CCN(CC3)C4=C(C(=CC=C4)F)C#N

InChI

InChI=1S/C22H22FN7O2/c1-3-18-16(14-25-30(18)20-7-8-21(32-2)27-26-20)22(31)29-11-9-28(10-12-29)19-6-4-5-17(23)15(19)13-24/h4-8,14H,3,9-12H2,1-2H3