4-[[4-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3-(2-methoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[3-(2-methoxyphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3-(2-methoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]piperazino]methyl]benzonitrile Formula: C29H27N5O2 MolecularWeight: 477.55698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C=C2C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C=C2C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)C5=CC=CC=C5

InChI

InChI=1S/C29H27N5O2/c1-36-27-10-6-5-9-25(27)28-26(21-34(31-28)24-7-3-2-4-8-24)29(35)33-17-15-32(16-18-33)20-23-13-11-22(19-30)12-14-23/h2-14,21H,15-18,20H2,1H3