(1E)-1-[2-(1-adamantyl)-2-oxidanylidene-ethylidene]-3,3,4,4-tetramethyl-2H-isoquinoline-6-carbaldehyde

Systemtic Name: (1E)-1-[2-(1-adamantyl)-2-oxidanylidene-ethylidene]-3,3,4,4-tetramethyl-2H-isoquinoline-6-carbaldehyde Openeye Name: (1E)-1-[2-(1-adamantyl)-2-oxo-ethylidene]-3,3,4,4-tetramethyl-2H-isoquinoline-6-carbaldehyde CAS Name: (1E)-1-[2-(1-adamantyl)-2-oxoethylidene]-3,3,4,4-tetramethyl-2H-isoquinoline-6-carboxaldehyde IUPAC Name: (1E)-1-[2-(1-adamantyl)-2-oxoethylidene]-3,3,4,4-tetramethyl-2H-isoquinoline-6-carbaldehyde Traditional Name: (1E)-1-[2-(1-adamantyl)-2-keto-ethylidene]-3,3,4,4-tetramethyl-2H-isoquinoline-6-carbaldehyde Formula: C26H33NO2 MolecularWeight: 391.54572

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C=O)C(=CC(=O)C34CC5CC(C3)CC(C5)C4)NC1(C)C)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C=O)/C(=C\C(=O)C34CC5CC(C3)CC(C5)C4)/NC1(C)C)C

InChI

InChI=1S/C26H33NO2/c1-24(2)21-10-16(15-28)5-6-20(21)22(27-25(24,3)4)11-23(29)26-12-17-7-18(13-26)9-19(8-17)14-26/h5-6,10-11,15,17-19,27H,7-9,12-14H2,1-4H3/b22-11+