1-(3-fluorophenyl)-3-[3-(4-methylpiperazin-1-yl)-4-pyridin-4-yl-1H-pyrazol-5-yl]urea

Systemtic Name: 1-(3-fluorophenyl)-3-[3-(4-methylpiperazin-1-yl)-4-pyridin-4-yl-1H-pyrazol-5-yl]urea Openeye Name: 1-(3-fluorophenyl)-3-[3-(4-methylpiperazin-1-yl)-4-(4-pyridyl)-1H-pyrazol-5-yl]urea CAS Name: 1-(3-fluorophenyl)-3-[3-(4-methyl-1-piperazinyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]urea IUPAC Name: 1-(3-fluorophenyl)-3-[3-(4-methylpiperazin-1-yl)-4-pyridin-4-yl-1H-pyrazol-5-yl]urea Traditional Name: 1-(3-fluorophenyl)-3-[3-(4-methylpiperazino)-4-(4-pyridyl)-1H-pyrazol-5-yl]urea Formula: C20H22FN7O MolecularWeight: 395.433383

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NNC(=C2C3=CC=NC=C3)NC(=O)NC4=CC(=CC=C4)F

Isomeric SMILES

CN1CCN(CC1)C2=NNC(=C2C3=CC=NC=C3)NC(=O)NC4=CC(=CC=C4)F

InChI

InChI=1S/C20H22FN7O/c1-27-9-11-28(12-10-27)19-17(14-5-7-22-8-6-14)18(25-26-19)24-20(29)23-16-4-2-3-15(21)13-16/h2-8,13H,9-12H2,1H3,(H3,23,24,25,26,29)