3-[5-(3-fluoranylphenoxy)-1-(4-methoxyphenyl)-3-methyl-pyrazol-4-yl]-1-(4-methylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[5-(3-fluoranylphenoxy)-1-(4-methoxyphenyl)-3-methyl-pyrazol-4-yl]-1-(4-methylpiperazin-1-yl)propan-1-one Openeye Name: 3-[5-(3-fluorophenoxy)-1-(4-methoxyphenyl)-3-methyl-pyrazol-4-yl]-1-(4-methylpiperazin-1-yl)propan-1-one CAS Name: 3-[5-(3-fluorophenoxy)-1-(4-methoxyphenyl)-3-methyl-4-pyrazolyl]-1-(4-methyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[5-(3-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-1-(4-methylpiperazin-1-yl)propan-1-one Traditional Name: 3-[5-(3-fluorophenoxy)-1-(4-methoxyphenyl)-3-methyl-pyrazol-4-yl]-1-(4-methylpiperazino)propan-1-one Formula: C25H29FN4O3 MolecularWeight: 452.521163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CCC(=O)N2CCN(CC2)C)OC3=CC(=CC=C3)F)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=NN(C(=C1CCC(=O)N2CCN(CC2)C)OC3=CC(=CC=C3)F)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H29FN4O3/c1-18-23(11-12-24(31)29-15-13-28(2)14-16-29)25(33-22-6-4-5-19(26)17-22)30(27-18)20-7-9-21(32-3)10-8-20/h4-10,17H,11-16H2,1-3H3