1-[3-[(4-ethanoyl-3,3-dimethyl-piperazin-1-yl)methyl]-2-fluoranyl-phenyl]-1-(6-methylpyridin-3-yl)urea

Systemtic Name: 1-[3-[(4-ethanoyl-3,3-dimethyl-piperazin-1-yl)methyl]-2-fluoranyl-phenyl]-1-(6-methylpyridin-3-yl)urea Openeye Name: 1-[3-[(4-acetyl-3,3-dimethyl-piperazin-1-yl)methyl]-2-fluoro-phenyl]-1-(6-methyl-3-pyridyl)urea CAS Name: 1-[3-[(4-acetyl-3,3-dimethyl-1-piperazinyl)methyl]-2-fluorophenyl]-1-(6-methyl-3-pyridinyl)urea IUPAC Name: 1-[3-[(4-acetyl-3,3-dimethylpiperazin-1-yl)methyl]-2-fluorophenyl]-1-(6-methylpyridin-3-yl)urea Traditional Name: 1-[3-[(4-acetyl-3,3-dimethyl-piperazino)methyl]-2-fluoro-phenyl]-1-(6-methyl-3-pyridyl)urea Formula: C22H28FN5O2 MolecularWeight: 413.488423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)N(C2=CC=CC(=C2F)CN3CCN(C(C3)(C)C)C(=O)C)C(=O)N

Isomeric SMILES

CC1=NC=C(C=C1)N(C2=CC=CC(=C2F)CN3CCN(C(C3)(C)C)C(=O)C)C(=O)N

InChI

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