4-[4-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]benzenecarbonitrile

Systemtic Name: 4-[4-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]benzenecarbonitrile Openeye Name: 4-[4-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]benzonitrile CAS Name: 4-[4-[[4-(3,4-dimethylphenyl)-1-piperazinyl]methyl]-1H-pyrazol-5-yl]benzonitrile IUPAC Name: 4-[4-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]benzonitrile Traditional Name: 4-[4-[[4-(3,4-dimethylphenyl)piperazino]methyl]-1H-pyrazol-5-yl]benzonitrile Formula: C23H25N5 MolecularWeight: 371.4781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCN(CC2)CC3=C(NN=C3)C4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCN(CC2)CC3=C(NN=C3)C4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C23H25N5/c1-17-3-8-22(13-18(17)2)28-11-9-27(10-12-28)16-21-15-25-26-23(21)20-6-4-19(14-24)5-7-20/h3-8,13,15H,9-12,16H2,1-2H3,(H,25,26)