4-[[3-[[aminocarbonyl-(6-methylpyridin-3-yl)amino]methyl]-4-fluoranyl-phenyl]methyl]-N,N-dimethyl-piperazine-1-carboxamide

Systemtic Name: 4-[[3-[[aminocarbonyl-(6-methylpyridin-3-yl)amino]methyl]-4-fluoranyl-phenyl]methyl]-N,N-dimethyl-piperazine-1-carboxamide Openeye Name: 4-[[3-[[carbamoyl-(6-methyl-3-pyridyl)amino]methyl]-4-fluoro-phenyl]methyl]-N,N-dimethyl-piperazine-1-carboxamide CAS Name: 4-[[3-[[carbamoyl-(6-methyl-3-pyridinyl)amino]methyl]-4-fluorophenyl]methyl]-N,N-dimethyl-1-piperazinecarboxamide IUPAC Name: 4-[[3-[[carbamoyl-(6-methylpyridin-3-yl)amino]methyl]-4-fluorophenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide Traditional Name: 4-[3-[[carbamoyl-(6-methyl-3-pyridyl)amino]methyl]-4-fluoro-benzyl]-N,N-dimethyl-piperazine-1-carboxamide Formula: C22H29FN6O2 MolecularWeight: 428.503063

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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)N(C)C)F)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C22H29FN6O2/c1-16-4-6-19(13-25-16)29(21(24)30)15-18-12-17(5-7-20(18)23)14-27-8-10-28(11-9-27)22(31)26(2)3/h4-7,12-13H,8-11,14-15H2,1-3H3,(H2,24,30)