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

Systemtic Name: 1-[3-[(4-ethanoylpiperazin-1-yl)methyl]-2-fluoranyl-phenyl]-3-(6-methylpyridin-3-yl)urea Openeye Name: 1-[3-[(4-acetylpiperazin-1-yl)methyl]-2-fluoro-phenyl]-3-(6-methyl-3-pyridyl)urea CAS Name: 1-[3-[(4-acetyl-1-piperazinyl)methyl]-2-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea IUPAC Name: 1-[3-[(4-acetylpiperazin-1-yl)methyl]-2-fluorophenyl]-3-(6-methylpyridin-3-yl)urea Traditional Name: 1-[3-[(4-acetylpiperazino)methyl]-2-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(=C2F)CN3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=NC=C(C=C1)NC(=O)NC2=CC=CC(=C2F)CN3CCN(CC3)C(=O)C

InChI

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