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

Systemtic Name: 3-[4-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]phenyl]carbonylpiperazin-1-yl]propanenitrile Openeye Name: 3-[4-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzoyl]piperazin-1-yl]propanenitrile CAS Name: 3-[4-[[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]phenyl]-oxomethyl]-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzoyl]piperazin-1-yl]propanenitrile Traditional Name: 3-[4-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzoyl]piperazino]propionitrile Formula: C23H22ClN5O MolecularWeight: 419.90668

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C(=O)C2=CC=C(C=C2)C3=NNC(=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1CCC#N)C(=O)C2=CC=C(C=C2)C3=NNC(=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H22ClN5O/c24-20-8-6-18(7-9-20)22-16-21(26-27-22)17-2-4-19(5-3-17)23(30)29-14-12-28(13-15-29)11-1-10-25/h2-9,16H,1,11-15H2,(H,26,27)