(4E)-4-[5-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,2-dihydropyrazol-3-ylidene]-2-methoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-4-[5-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,2-dihydropyrazol-3-ylidene]-2-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-[5-(3,5-ditert-butyl-4-hydroxy-phenyl)-1,2-dihydropyrazol-3-ylidene]-2-methoxy-cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2-dihydropyrazol-3-ylidene]-2-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2-dihydropyrazol-3-ylidene]-2-methoxycyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-[5-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-pyrazolin-3-ylidene]-2-methoxy-cyclohexa-2,5-dien-1-one Formula: C24H30N2O3 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CC(=C3C=CC(=O)C(=C3)OC)NN2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=C/C(=C\3/C=CC(=O)C(=C3)OC)/NN2

InChI

InChI=1S/C24H30N2O3/c1-23(2,3)16-10-15(11-17(22(16)28)24(4,5)6)19-13-18(25-26-19)14-8-9-20(27)21(12-14)29-7/h8-13,25-26,28H,1-7H3/b18-14+