4-[[4-(1-phenylpyrazol-3-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(1-phenylpyrazol-3-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-(1-phenyl-3-pyrazolyl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(1-phenylpyrazole-3-carbonyl)piperazino]methyl]benzonitrile Formula: C22H21N5O MolecularWeight: 371.43504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=NN(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=NN(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O/c23-16-18-6-8-19(9-7-18)17-25-12-14-26(15-13-25)22(28)21-10-11-27(24-21)20-4-2-1-3-5-20/h1-11H,12-15,17H2