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

Systemtic Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-1-[4-(2-pyrazinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-1-(4-pyrazin-2-ylpiperazino)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=CN=C4)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=CN=C4)C5=CC=CC=C5)OC

InChI

InChI=1S/C28H28N6O3/c1-36-24-10-8-21(18-25(24)37-2)28-22(20-34(31-28)23-6-4-3-5-7-23)9-11-27(35)33-16-14-32(15-17-33)26-19-29-12-13-30-26/h3-13,18-20H,14-17H2,1-2H3/b11-9+