(E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-N-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]prop-2-enamide

Systemtic Name: (E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-N-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]prop-2-enamide Openeye Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-N-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]prop-2-enamide CAS Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-2-propenamide IUPAC Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]prop-2-enamide Traditional Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-N-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]acrylamide Formula: C28H38N4O3 MolecularWeight: 478.62632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N4O3/c1-27(2,3)21-17-20(18-22(26(21)35)28(4,5)6)10-11-24(33)30-19-25(34)32-15-13-31(14-16-32)23-9-7-8-12-29-23/h7-12,17-18,35H,13-16,19H2,1-6H3,(H,30,33)/b11-10+