6-[(1-adamantylamino)methylidene]-4-chloranyl-2-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[(1-adamantylamino)methylidene]-4-chloranyl-2-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[(1-adamantylamino)methylene]-4-chloro-2-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[(1-adamantylamino)methylidene]-4-chloro-2-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(1-adamantylamino)methylidene]-4-chloro-2-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[(1-adamantylamino)methylene]-4-chloro-2-methoxy-cyclohexa-2,4-dien-1-one Formula: C18H22ClNO2 MolecularWeight: 319.82578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=CNC23CC4CC(C2)CC(C4)C3)C1=O)Cl

Isomeric SMILES

COC1=CC(=CC(=CNC23CC4CC(C2)CC(C4)C3)C1=O)Cl

InChI

InChI=1S/C18H22ClNO2/c1-22-16-6-15(19)5-14(17(16)21)10-20-18-7-11-2-12(8-18)4-13(3-11)9-18/h5-6,10-13,20H,2-4,7-9H2,1H3