3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1,2-oxazole-4-carboxamide

Systemtic Name: 3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chloro-6-fluoro-phenyl)-5-methyl-N-[(1-pyrimidin-2-yl-3-piperidyl)methyl]isoxazole-4-carboxamide CAS Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[[1-(2-pyrimidinyl)-3-piperidinyl]methyl]-4-isoxazolecarboxamide IUPAC Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chloro-6-fluoro-phenyl)-5-methyl-N-[[1-(2-pyrimidyl)-3-piperidyl]methyl]isoxazole-4-carboxamide Formula: C21H21ClFN5O2 MolecularWeight: 429.875143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NCC3CCCN(C3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NCC3CCCN(C3)C4=NC=CC=N4

InChI

InChI=1S/C21H21ClFN5O2/c1-13-17(19(27-30-13)18-15(22)6-2-7-16(18)23)20(29)26-11-14-5-3-10-28(12-14)21-24-8-4-9-25-21/h2,4,6-9,14H,3,5,10-12H2,1H3,(H,26,29)