ethyl 4-[2-[1-(2-chloranyl-6-fluoranyl-phenyl)carbonylpiperidin-4-yl]-6-methyl-pyridin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[1-(2-chloranyl-6-fluoranyl-phenyl)carbonylpiperidin-4-yl]-6-methyl-pyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1-(2-chloro-6-fluoro-benzoyl)-4-piperidyl]-6-methyl-pyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[1-[(2-chloro-6-fluorophenyl)-oxomethyl]-4-piperidinyl]-6-methyl-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-[1-(2-chloro-6-fluoro-benzoyl)-4-piperidyl]-6-methyl-nicotinoyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H30ClFN4O4 MolecularWeight: 516.992203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)C4=C(C=CC=C4Cl)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)C4=C(C=CC=C4Cl)F

InChI

InChI=1S/C26H30ClFN4O4/c1-3-36-26(35)32-15-13-31(14-16-32)24(33)19-8-7-17(2)29-23(19)18-9-11-30(12-10-18)25(34)22-20(27)5-4-6-21(22)28/h4-8,18H,3,9-16H2,1-2H3