[3-(4-chlorophenyl)-1-(phenylmethyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-(4-chlorophenyl)-1-(phenylmethyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [3-(4-chlorophenyl)-1-(phenylmethyl)-4-pyrazolyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C25H23ClN6O MolecularWeight: 458.94272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CN(N=C3C4=CC=C(C=C4)Cl)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CN(N=C3C4=CC=C(C=C4)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C25H23ClN6O/c26-21-9-7-20(8-10-21)23-22(18-32(29-23)17-19-5-2-1-3-6-19)24(33)30-13-15-31(16-14-30)25-27-11-4-12-28-25/h1-12,18H,13-17H2