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

Systemtic Name: 4-[4-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]carbonylpiperazin-1-yl]butanenitrile Openeye Name: 4-[4-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzoyl]piperazin-1-yl]butanenitrile CAS Name: 4-[4-[[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]-oxomethyl]-1-piperazinyl]butanenitrile IUPAC Name: 4-[4-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzoyl]piperazin-1-yl]butanenitrile Traditional Name: 4-[4-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzoyl]piperazino]butyronitrile Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5O2/c1-32-22-6-4-5-21(17-22)24-18-23(27-28-24)19-7-9-20(10-8-19)25(31)30-15-13-29(14-16-30)12-3-2-11-26/h4-10,17-18H,2-3,12-16H2,1H3,(H,27,28)