6-[(1-adamantylamino)methylidene]-4-bromanyl-2-ethoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[(1-adamantylamino)methylidene]-4-bromanyl-2-ethoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[(1-adamantylamino)methylene]-4-bromo-2-ethoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[(1-adamantylamino)methylidene]-4-bromo-2-ethoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(1-adamantylamino)methylidene]-4-bromo-2-ethoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[(1-adamantylamino)methylene]-4-bromo-2-ethoxy-cyclohexa-2,4-dien-1-one Formula: C19H24BrNO2 MolecularWeight: 378.30336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=CNC23CC4CC(C2)CC(C4)C3)C1=O)Br

Isomeric SMILES

CCOC1=CC(=CC(=CNC23CC4CC(C2)CC(C4)C3)C1=O)Br

InChI

InChI=1S/C19H24BrNO2/c1-2-23-17-7-16(20)6-15(18(17)22)11-21-19-8-12-3-13(9-19)5-14(4-12)10-19/h6-7,11-14,21H,2-5,8-10H2,1H3