2-[1-(2-acetamido-6-fluoranyl-phenyl)carbonylpiperidin-4-yl]-N-(4-imidazol-1-ylphenyl)-6-methyl-pyridine-3-carboxamide

Systemtic Name: 2-[1-(2-acetamido-6-fluoranyl-phenyl)carbonylpiperidin-4-yl]-N-(4-imidazol-1-ylphenyl)-6-methyl-pyridine-3-carboxamide Openeye Name: 2-[1-(2-acetamido-6-fluoro-benzoyl)-4-piperidyl]-N-(4-imidazol-1-ylphenyl)-6-methyl-pyridine-3-carboxamide CAS Name: 2-[1-[(2-acetamido-6-fluorophenyl)-oxomethyl]-4-piperidinyl]-N-[4-(1-imidazolyl)phenyl]-6-methyl-3-pyridinecarboxamide IUPAC Name: 2-[1-(2-acetamido-6-fluorobenzoyl)piperidin-4-yl]-N-(4-imidazol-1-ylphenyl)-6-methylpyridine-3-carboxamide Traditional Name: 2-[1-(2-acetamido-6-fluoro-benzoyl)-4-piperidyl]-N-(4-imidazol-1-ylphenyl)-6-methyl-nicotinamide Formula: C30H29FN6O3 MolecularWeight: 540.588063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C=CN=C3)C4CCN(CC4)C(=O)C5=C(C=CC=C5F)NC(=O)C

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C=CN=C3)C4CCN(CC4)C(=O)C5=C(C=CC=C5F)NC(=O)C

InChI

InChI=1S/C30H29FN6O3/c1-19-6-11-24(29(39)35-22-7-9-23(10-8-22)37-17-14-32-18-37)28(33-19)21-12-15-36(16-13-21)30(40)27-25(31)4-3-5-26(27)34-20(2)38/h3-11,14,17-18,21H,12-13,15-16H2,1-2H3,(H,34,38)(H,35,39)