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

Systemtic Name: 3-[4-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]carbonylpiperazin-1-yl]propanenitrile Openeye Name: 3-[4-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzoyl]piperazin-1-yl]propanenitrile CAS Name: 3-[4-[[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]-oxomethyl]-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzoyl]piperazin-1-yl]propanenitrile Traditional Name: 3-[4-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzoyl]piperazino]propionitrile Formula: C24H25N5O2 MolecularWeight: 415.4876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NNC(=C2)C3=CC=C(C=C3)C(=O)N4CCN(CC4)CCC#N

Isomeric SMILES

COC1=CC=CC(=C1)C2=NNC(=C2)C3=CC=C(C=C3)C(=O)N4CCN(CC4)CCC#N

InChI

InChI=1S/C24H25N5O2/c1-31-21-5-2-4-20(16-21)23-17-22(26-27-23)18-6-8-19(9-7-18)24(30)29-14-12-28(13-15-29)11-3-10-25/h2,4-9,16-17H,3,11-15H2,1H3,(H,26,27)