4-[[4-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3-(p-tolyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3-(p-tolyl)-1H-pyrazole-5-carbonyl]piperazino]methyl]benzonitrile Formula: C23H23N5O MolecularWeight: 385.46162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H23N5O/c1-17-2-8-20(9-3-17)21-14-22(26-25-21)23(29)28-12-10-27(11-13-28)16-19-6-4-18(15-24)5-7-19/h2-9,14H,10-13,16H2,1H3,(H,25,26)