4-[[4-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxoethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]piperazino]methyl]benzonitrile Formula: C25H27N5O MolecularWeight: 413.51478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5O/c1-19-24(20(2)30(27-19)23-6-4-3-5-7-23)16-25(31)29-14-12-28(13-15-29)18-22-10-8-21(17-26)9-11-22/h3-11H,12-16,18H2,1-2H3