3-[3-ethyl-1-(4-fluorophenyl)-5-phenoxy-pyrazol-4-yl]-1-(4-methylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[3-ethyl-1-(4-fluorophenyl)-5-phenoxy-pyrazol-4-yl]-1-(4-methylpiperazin-1-yl)propan-1-one Openeye Name: 3-[3-ethyl-1-(4-fluorophenyl)-5-phenoxy-pyrazol-4-yl]-1-(4-methylpiperazin-1-yl)propan-1-one CAS Name: 3-[3-ethyl-1-(4-fluorophenyl)-5-phenoxy-4-pyrazolyl]-1-(4-methyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[3-ethyl-1-(4-fluorophenyl)-5-phenoxypyrazol-4-yl]-1-(4-methylpiperazin-1-yl)propan-1-one Traditional Name: 3-[3-ethyl-1-(4-fluorophenyl)-5-phenoxy-pyrazol-4-yl]-1-(4-methylpiperazino)propan-1-one Formula: C25H29FN4O2 MolecularWeight: 436.521763

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1CCC(=O)N2CCN(CC2)C)OC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=NN(C(=C1CCC(=O)N2CCN(CC2)C)OC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H29FN4O2/c1-3-23-22(13-14-24(31)29-17-15-28(2)16-18-29)25(32-21-7-5-4-6-8-21)30(27-23)20-11-9-19(26)10-12-20/h4-12H,3,13-18H2,1-2H3