3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]propanamide

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]propanamide Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]propanamide CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]propanamide IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]propanamide Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-N-[6-(3-ketopiperazino)-3-pyridyl]propionamide Formula: C26H36N4O3 MolecularWeight: 452.58904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

InChI

InChI=1S/C26H36N4O3/c1-25(2,3)19-13-17(14-20(24(19)33)26(4,5)6)7-10-22(31)29-18-8-9-21(28-15-18)30-12-11-27-23(32)16-30/h8-9,13-15,33H,7,10-12,16H2,1-6H3,(H,27,32)(H,29,31)