1-[4-[4-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[1-benzyl-3-(3-pyridyl)pyrazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[oxo-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(1-benzyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[1-benzyl-3-(3-pyridyl)pyrazole-4-carbonyl]piperazino]phenyl]ethanone Formula: C28H27N5O2 MolecularWeight: 465.54628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H27N5O2/c1-21(34)23-9-11-25(12-10-23)31-14-16-32(17-15-31)28(35)26-20-33(19-22-6-3-2-4-7-22)30-27(26)24-8-5-13-29-18-24/h2-13,18,20H,14-17,19H2,1H3