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

Systemtic Name: 4-[4-[4-[3-(4-piperidin-1-ylphenyl)-1H-pyrazol-5-yl]phenyl]carbonylpiperazin-1-yl]butanenitrile Openeye Name: 4-[4-[4-[3-[4-(1-piperidyl)phenyl]-1H-pyrazol-5-yl]benzoyl]piperazin-1-yl]butanenitrile CAS Name: 4-[4-[oxo-[4-[3-[4-(1-piperidinyl)phenyl]-1H-pyrazol-5-yl]phenyl]methyl]-1-piperazinyl]butanenitrile IUPAC Name: 4-[4-[4-[3-(4-piperidin-1-ylphenyl)-1H-pyrazol-5-yl]benzoyl]piperazin-1-yl]butanenitrile Traditional Name: 4-[4-[4-[3-(4-piperidinophenyl)-1H-pyrazol-5-yl]benzoyl]piperazino]butyronitrile Formula: C29H34N6O MolecularWeight: 482.61986

Click to see the large picture

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)CCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C29H34N6O/c30-14-2-5-15-33-18-20-35(21-19-33)29(36)25-8-6-23(7-9-25)27-22-28(32-31-27)24-10-12-26(13-11-24)34-16-3-1-4-17-34/h6-13,22H,1-5,15-21H2,(H,31,32)