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

Systemtic Name: 1-[3-[[(2R)-4-ethanoyl-2-methyl-piperazin-1-yl]methyl]-2-fluoranyl-phenyl]-3-(6-methylpyridin-3-yl)urea Openeye Name: 1-[3-[[(2R)-4-acetyl-2-methyl-piperazin-1-yl]methyl]-2-fluoro-phenyl]-3-(6-methyl-3-pyridyl)urea CAS Name: 1-[3-[[(2R)-4-acetyl-2-methyl-1-piperazinyl]methyl]-2-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea IUPAC Name: 1-[3-[[(2R)-4-acetyl-2-methylpiperazin-1-yl]methyl]-2-fluorophenyl]-3-(6-methylpyridin-3-yl)urea Traditional Name: 1-[3-[[(2R)-4-acetyl-2-methyl-piperazino]methyl]-2-fluoro-phenyl]-3-(6-methyl-3-pyridyl)urea Formula: C21H26FN5O2 MolecularWeight: 399.461843

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC2=C(C(=CC=C2)NC(=O)NC3=CN=C(C=C3)C)F)C(=O)C

Isomeric SMILES

C[C@@H]1CN(CCN1CC2=C(C(=CC=C2)NC(=O)NC3=CN=C(C=C3)C)F)C(=O)C

InChI

InChI=1S/C21H26FN5O2/c1-14-7-8-18(11-23-14)24-21(29)25-19-6-4-5-17(20(19)22)13-26-9-10-27(16(3)28)12-15(26)2/h4-8,11,15H,9-10,12-13H2,1-3H3,(H2,24,25,29)/t15-/m1/s1