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

Systemtic Name: ethyl 4-[2-[1-(3-chloranyl-4-oxidanyl-phenyl)carbonylpiperidin-4-yl]-6-methyl-pyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1-(3-chloro-4-hydroxy-benzoyl)-4-piperidyl]-6-methyl-pyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[1-[(3-chloro-4-hydroxyphenyl)-oxomethyl]-4-piperidinyl]-6-methyl-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-(3-chloro-4-hydroxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-[1-(3-chloro-4-hydroxy-benzoyl)-4-piperidyl]-6-methyl-nicotinoyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H31ClN4O5 MolecularWeight: 515.00114

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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=CC(=C(C=C4)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H31ClN4O5/c1-3-36-26(35)31-14-12-30(13-15-31)25(34)20-6-4-17(2)28-23(20)18-8-10-29(11-9-18)24(33)19-5-7-22(32)21(27)16-19/h4-7,16,18,32H,3,8-15H2,1-2H3