tert-butyl 2-[4-[4-(6-cyanopyridin-3-yl)piperazin-1-yl]-1-oxidanyl-cyclohexyl]ethanoate

Systemtic Name: tert-butyl 2-[4-[4-(6-cyanopyridin-3-yl)piperazin-1-yl]-1-oxidanyl-cyclohexyl]ethanoate Openeye Name: tert-butyl 2-[4-[4-(6-cyano-3-pyridyl)piperazin-1-yl]-1-hydroxy-cyclohexyl]acetate CAS Name: 2-[4-[4-(6-cyano-3-pyridinyl)-1-piperazinyl]-1-hydroxycyclohexyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[4-(6-cyanopyridin-3-yl)piperazin-1-yl]-1-hydroxycyclohexyl]acetate Traditional Name: 2-[4-[4-(6-cyano-3-pyridyl)piperazino]-1-hydroxy-cyclohexyl]acetic acid tert-butyl ester Formula: C22H32N4O3 MolecularWeight: 400.51448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1(CCC(CC1)N2CCN(CC2)C3=CN=C(C=C3)C#N)O

Isomeric SMILES

CC(C)(C)OC(=O)CC1(CCC(CC1)N2CCN(CC2)C3=CN=C(C=C3)C#N)O

InChI

InChI=1S/C22H32N4O3/c1-21(2,3)29-20(27)14-22(28)8-6-18(7-9-22)25-10-12-26(13-11-25)19-5-4-17(15-23)24-16-19/h4-5,16,18,28H,6-14H2,1-3H3