N-(3-chloranyl-4-fluoranyl-phenyl)-4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-[6-(3,5-dimethyl-1-pyrazolyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide Formula: C20H21ClFN7O MolecularWeight: 429.878443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC(=NC=N2)N3CCN(CC3)C(=O)NC4=CC(=C(C=C4)F)Cl)C

Isomeric SMILES

CC1=CC(=NN1C2=CC(=NC=N2)N3CCN(CC3)C(=O)NC4=CC(=C(C=C4)F)Cl)C

InChI

InChI=1S/C20H21ClFN7O/c1-13-9-14(2)29(26-13)19-11-18(23-12-24-19)27-5-7-28(8-6-27)20(30)25-15-3-4-17(22)16(21)10-15/h3-4,9-12H,5-8H2,1-2H3,(H,25,30)