4-[4-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]phenyl]carbonylpiperazin-1-yl]butanenitrile

Systemtic Name: 4-[4-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]phenyl]carbonylpiperazin-1-yl]butanenitrile Openeye Name: 4-[4-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzoyl]piperazin-1-yl]butanenitrile CAS Name: 4-[4-[[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]phenyl]-oxomethyl]-1-piperazinyl]butanenitrile IUPAC Name: 4-[4-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzoyl]piperazin-1-yl]butanenitrile Traditional Name: 4-[4-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzoyl]piperazino]butyronitrile Formula: C24H24ClN5O MolecularWeight: 433.93326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC#N)C(=O)C2=CC=C(C=C2)C3=NNC(=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1CCCC#N)C(=O)C2=CC=C(C=C2)C3=NNC(=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H24ClN5O/c25-21-9-7-19(8-10-21)23-17-22(27-28-23)18-3-5-20(6-4-18)24(31)30-15-13-29(14-16-30)12-2-1-11-26/h3-10,17H,1-2,12-16H2,(H,27,28)