3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)pyrazol-4-yl]-1-(4-methylpiperazin-1-yl)propan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=C(C(=NN2C3=CC=C(C=C3)F)C)CCC(=O)N4CCN(CC4)C

Isomeric SMILES

CC1=CC(=CC=C1)OC2=C(C(=NN2C3=CC=C(C=C3)F)C)CCC(=O)N4CCN(CC4)C

InChI

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