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

Systemtic Name: (E)-1-(4-cyclopropylcarbonylpiperazin-1-yl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one Openeye Name: (E)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one CAS Name: (E)-1-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one Traditional Name: (E)-1-[4-(cyclopropanecarbonyl)piperazino]-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one Formula: C28H30N4O4 MolecularWeight: 486.5622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)N3CCN(CC3)C(=O)C4CC4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2/C=C/C(=O)N3CCN(CC3)C(=O)C4CC4)C5=CC=CC=C5)OC

InChI

InChI=1S/C28H30N4O4/c1-35-24-12-10-21(18-25(24)36-2)27-22(19-32(29-27)23-6-4-3-5-7-23)11-13-26(33)30-14-16-31(17-15-30)28(34)20-8-9-20/h3-7,10-13,18-20H,8-9,14-17H2,1-2H3/b13-11+