(E)-3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C26H23ClN6O MolecularWeight: 470.95342

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C=CC3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C26H23ClN6O/c27-22-10-7-20(8-11-22)25-21(19-33(30-25)23-5-2-1-3-6-23)9-12-24(34)31-15-17-32(18-16-31)26-28-13-4-14-29-26/h1-14,19H,15-18H2/b12-9+