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

Systemtic Name: 3-[4-[4-[3-(4-piperidin-1-ylphenyl)-1H-pyrazol-5-yl]phenyl]carbonylpiperazin-1-yl]propanenitrile Openeye Name: 3-[4-[4-[3-[4-(1-piperidyl)phenyl]-1H-pyrazol-5-yl]benzoyl]piperazin-1-yl]propanenitrile CAS Name: 3-[4-[oxo-[4-[3-[4-(1-piperidinyl)phenyl]-1H-pyrazol-5-yl]phenyl]methyl]-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-[4-[3-(4-piperidin-1-ylphenyl)-1H-pyrazol-5-yl]benzoyl]piperazin-1-yl]propanenitrile Traditional Name: 3-[4-[4-[3-(4-piperidinophenyl)-1H-pyrazol-5-yl]benzoyl]piperazino]propionitrile Formula: C28H32N6O MolecularWeight: 468.59328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)C3=NNC(=C3)C4=CC=C(C=C4)C(=O)N5CCN(CC5)CCC#N

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)C3=NNC(=C3)C4=CC=C(C=C4)C(=O)N5CCN(CC5)CCC#N

InChI

InChI=1S/C28H32N6O/c29-13-4-14-32-17-19-34(20-18-32)28(35)24-7-5-22(6-8-24)26-21-27(31-30-26)23-9-11-25(12-10-23)33-15-2-1-3-16-33/h5-12,21H,1-4,14-20H2,(H,30,31)