4-[[(3,5,7-trimethyl-1-adamantyl)methylamino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[(3,5,7-trimethyl-1-adamantyl)methylamino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[(3,5,7-trimethyl-1-adamantyl)methylamino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[[(3,5,7-trimethyl-1-adamantyl)methylamino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[(3,5,7-trimethyl-1-adamantyl)methylamino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[[(3,5,7-trimethyl-1-adamantyl)methylamino]methylene]cyclohexa-2,5-dien-1-one Formula: C21H29NO MolecularWeight: 311.46106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC3(CC(C1)(CC(C2)(C3)CNC=C4C=CC(=O)C=C4)C)C

Isomeric SMILES

CC12CC3(CC(C1)(CC(C2)(C3)CNC=C4C=CC(=O)C=C4)C)C

InChI

InChI=1S/C21H29NO/c1-18-9-19(2)11-20(3,10-18)14-21(12-18,13-19)15-22-8-16-4-6-17(23)7-5-16/h4-8,22H,9-15H2,1-3H3