N-[5-[(3-fluoranyl-4-methyl-phenyl)methyl]-1,3-thiazol-2-yl]-1-pyrimidin-2-yl-piperidine-4-carboxamide

Systemtic Name: N-[5-[(3-fluoranyl-4-methyl-phenyl)methyl]-1,3-thiazol-2-yl]-1-pyrimidin-2-yl-piperidine-4-carboxamide Openeye Name: N-[5-[(3-fluoro-4-methyl-phenyl)methyl]thiazol-2-yl]-1-pyrimidin-2-yl-piperidine-4-carboxamide CAS Name: N-[5-[(3-fluoro-4-methylphenyl)methyl]-2-thiazolyl]-1-(2-pyrimidinyl)-4-piperidinecarboxamide IUPAC Name: N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide Traditional Name: N-[5-(3-fluoro-4-methyl-benzyl)thiazol-2-yl]-1-(2-pyrimidyl)isonipecotamide Formula: C21H22FN5OS MolecularWeight: 411.495683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2=CN=C(S2)NC(=O)C3CCN(CC3)C4=NC=CC=N4)F

Isomeric SMILES

CC1=C(C=C(C=C1)CC2=CN=C(S2)NC(=O)C3CCN(CC3)C4=NC=CC=N4)F

InChI

InChI=1S/C21H22FN5OS/c1-14-3-4-15(12-18(14)22)11-17-13-25-21(29-17)26-19(28)16-5-9-27(10-6-16)20-23-7-2-8-24-20/h2-4,7-8,12-13,16H,5-6,9-11H2,1H3,(H,25,26,28)