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

Systemtic Name: 1-[3-[1-(4-ethanoylpiperazin-1-yl)propyl]-2-fluoranyl-phenyl]-3-(6-methylpyridin-3-yl)urea Openeye Name: 1-[3-[1-(4-acetylpiperazin-1-yl)propyl]-2-fluoro-phenyl]-3-(6-methyl-3-pyridyl)urea CAS Name: 1-[3-[1-(4-acetyl-1-piperazinyl)propyl]-2-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea IUPAC Name: 1-[3-[1-(4-acetylpiperazin-1-yl)propyl]-2-fluorophenyl]-3-(6-methylpyridin-3-yl)urea Traditional Name: 1-[3-[1-(4-acetylpiperazino)propyl]-2-fluoro-phenyl]-3-(6-methyl-3-pyridyl)urea Formula: C22H28FN5O2 MolecularWeight: 413.488423

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=CC=C1)NC(=O)NC2=CN=C(C=C2)C)F)N3CCN(CC3)C(=O)C

Isomeric SMILES

CCC(C1=C(C(=CC=C1)NC(=O)NC2=CN=C(C=C2)C)F)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C22H28FN5O2/c1-4-20(28-12-10-27(11-13-28)16(3)29)18-6-5-7-19(21(18)23)26-22(30)25-17-9-8-15(2)24-14-17/h5-9,14,20H,4,10-13H2,1-3H3,(H2,25,26,30)