1-[3-[(4-ethanoylpiperazin-1-yl)methyl]-5-fluoranyl-phenyl]-3-(6-methylpyridin-3-yl)urea

Systemtic Name: 1-[3-[(4-ethanoylpiperazin-1-yl)methyl]-5-fluoranyl-phenyl]-3-(6-methylpyridin-3-yl)urea Openeye Name: 1-[3-[(4-acetylpiperazin-1-yl)methyl]-5-fluoro-phenyl]-3-(6-methyl-3-pyridyl)urea CAS Name: 1-[3-[(4-acetyl-1-piperazinyl)methyl]-5-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea IUPAC Name: 1-[3-[(4-acetylpiperazin-1-yl)methyl]-5-fluorophenyl]-3-(6-methylpyridin-3-yl)urea Traditional Name: 1-[3-[(4-acetylpiperazino)methyl]-5-fluoro-phenyl]-3-(6-methyl-3-pyridyl)urea Formula: C20H24FN5O2 MolecularWeight: 385.435263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)NC(=O)NC2=CC(=CC(=C2)CN3CCN(CC3)C(=O)C)F

Isomeric SMILES

CC1=NC=C(C=C1)NC(=O)NC2=CC(=CC(=C2)CN3CCN(CC3)C(=O)C)F

InChI

InChI=1S/C20H24FN5O2/c1-14-3-4-18(12-22-14)23-20(28)24-19-10-16(9-17(21)11-19)13-25-5-7-26(8-6-25)15(2)27/h3-4,9-12H,5-8,13H2,1-2H3,(H2,23,24,28)