1-[[5-[(4-ethanoylpiperazin-1-yl)methyl]-2-fluoranyl-phenyl]methyl]-1-(6-methylpyridin-3-yl)urea

Systemtic Name: 1-[[5-[(4-ethanoylpiperazin-1-yl)methyl]-2-fluoranyl-phenyl]methyl]-1-(6-methylpyridin-3-yl)urea Openeye Name: 1-[[5-[(4-acetylpiperazin-1-yl)methyl]-2-fluoro-phenyl]methyl]-1-(6-methyl-3-pyridyl)urea CAS Name: 1-[[5-[(4-acetyl-1-piperazinyl)methyl]-2-fluorophenyl]methyl]-1-(6-methyl-3-pyridinyl)urea IUPAC Name: 1-[[5-[(4-acetylpiperazin-1-yl)methyl]-2-fluorophenyl]methyl]-1-(6-methylpyridin-3-yl)urea Traditional Name: 1-[5-[(4-acetylpiperazino)methyl]-2-fluoro-benzyl]-1-(6-methyl-3-pyridyl)urea Formula: C21H26FN5O2 MolecularWeight: 399.461843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)N(CC2=C(C=CC(=C2)CN3CCN(CC3)C(=O)C)F)C(=O)N

Isomeric SMILES

CC1=NC=C(C=C1)N(CC2=C(C=CC(=C2)CN3CCN(CC3)C(=O)C)F)C(=O)N

InChI

InChI=1S/C21H26FN5O2/c1-15-3-5-19(12-24-15)27(21(23)29)14-18-11-17(4-6-20(18)22)13-25-7-9-26(10-8-25)16(2)28/h3-6,11-12H,7-10,13-14H2,1-2H3,(H2,23,29)