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

Systemtic Name: [3-phenyl-1-(phenylmethyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (1-benzyl-3-phenyl-pyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [3-phenyl-1-(phenylmethyl)-4-pyrazolyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (1-benzyl-3-phenylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (1-benzyl-3-phenyl-pyrazol-4-yl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C25H24N6O MolecularWeight: 424.49766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N6O/c32-24(29-14-16-30(17-15-29)25-26-12-7-13-27-25)22-19-31(18-20-8-3-1-4-9-20)28-23(22)21-10-5-2-6-11-21/h1-13,19H,14-18H2