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

Systemtic Name: ethyl 4-[2-[1-(2-fluoranyl-4-nitro-phenyl)carbonylpiperidin-4-yl]-6-methyl-pyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1-(2-fluoro-4-nitro-benzoyl)-4-piperidyl]-6-methyl-pyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[1-[(2-fluoro-4-nitrophenyl)-oxomethyl]-4-piperidinyl]-6-methyl-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-(2-fluoro-4-nitrobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-[1-(2-fluoro-4-nitro-benzoyl)-4-piperidyl]-6-methyl-nicotinoyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H30FN5O6 MolecularWeight: 527.544703

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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=C(C=C4)[N+](=O)[O-])F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])F

InChI

InChI=1S/C26H30FN5O6/c1-3-38-26(35)31-14-12-30(13-15-31)25(34)21-6-4-17(2)28-23(21)18-8-10-29(11-9-18)24(33)20-7-5-19(32(36)37)16-22(20)27/h4-7,16,18H,3,8-15H2,1-2H3