3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-(4-pyridin-2-ylcarbonylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-(4-pyridin-2-ylcarbonylpiperazin-1-yl)propan-1-one Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]propan-1-one CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-[4-[oxo(2-pyridinyl)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-(4-picolinoylpiperazino)propan-1-one Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)N2CCN(CC2)C(=O)C3=CC=CC=N3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)N2CCN(CC2)C(=O)C3=CC=CC=N3

InChI

InChI=1S/C27H37N3O3/c1-26(2,3)20-17-19(18-21(24(20)32)27(4,5)6)10-11-23(31)29-13-15-30(16-14-29)25(33)22-9-7-8-12-28-22/h7-9,12,17-18,32H,10-11,13-16H2,1-6H3