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

Systemtic Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C28H28N6O3 MolecularWeight: 496.56032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)N3CCN(CC3)C4=NC=CC=N4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2/C=C/C(=O)N3CCN(CC3)C4=NC=CC=N4)C5=CC=CC=C5)OC

InChI

InChI=1S/C28H28N6O3/c1-36-24-11-9-21(19-25(24)37-2)27-22(20-34(31-27)23-7-4-3-5-8-23)10-12-26(35)32-15-17-33(18-16-32)28-29-13-6-14-30-28/h3-14,19-20H,15-18H2,1-2H3/b12-10+