(6Z)-6-[(2-adamantylamino)methylidene]-2-tert-butyl-4-methyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-6-[(2-adamantylamino)methylidene]-2-tert-butyl-4-methyl-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[(2-adamantylamino)methylene]-2-tert-butyl-4-methyl-cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[(2-adamantylamino)methylidene]-2-tert-butyl-4-methyl-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-[(2-adamantylamino)methylidene]-2-tert-butyl-4-methylcyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-[(2-adamantylamino)methylene]-2-tert-butyl-4-methyl-cyclohexa-2,4-dien-1-one Formula: C22H31NO MolecularWeight: 325.48764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CNC2C3CC4CC(C3)CC2C4)C(=O)C(=C1)C(C)(C)C

Isomeric SMILES

CC1=C/C(=C/NC2C3CC4CC(C3)CC2C4)/C(=O)C(=C1)C(C)(C)C

InChI

InChI=1S/C22H31NO/c1-13-5-18(21(24)19(6-13)22(2,3)4)12-23-20-16-8-14-7-15(10-16)11-17(20)9-14/h5-6,12,14-17,20,23H,7-11H2,1-4H3/b18-12-