methyl 2-[4-(6-chloranylpyridin-3-yl)carbonyl-3-[(1-oxidanylcyclohexyl)methyl]-2-oxidanylidene-piperazin-1-yl]ethanoate

Systemtic Name: methyl 2-[4-(6-chloranylpyridin-3-yl)carbonyl-3-[(1-oxidanylcyclohexyl)methyl]-2-oxidanylidene-piperazin-1-yl]ethanoate Openeye Name: methyl 2-[4-(6-chloropyridine-3-carbonyl)-3-[(1-hydroxycyclohexyl)methyl]-2-oxo-piperazin-1-yl]acetate CAS Name: 2-[4-[(6-chloro-3-pyridinyl)-oxomethyl]-3-[(1-hydroxycyclohexyl)methyl]-2-oxo-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(6-chloropyridine-3-carbonyl)-3-[(1-hydroxycyclohexyl)methyl]-2-oxopiperazin-1-yl]acetate Traditional Name: 2-[4-(6-chloronicotinoyl)-3-[(1-hydroxycyclohexyl)methyl]-2-keto-piperazino]acetic acid methyl ester Formula: C20H26ClN3O5 MolecularWeight: 423.89054

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1CCN(C(C1=O)CC2(CCCCC2)O)C(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

COC(=O)CN1CCN(C(C1=O)CC2(CCCCC2)O)C(=O)C3=CN=C(C=C3)Cl

InChI

InChI=1S/C20H26ClN3O5/c1-29-17(25)13-23-9-10-24(18(26)14-5-6-16(21)22-12-14)15(19(23)27)11-20(28)7-3-2-4-8-20/h5-6,12,15,28H,2-4,7-11,13H2,1H3