(4Z)-4-[[[4-(1-adamantyl)phenyl]amino]methylidene]-2-iodanyl-6-methoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: (4Z)-4-[[[4-(1-adamantyl)phenyl]amino]methylidene]-2-iodanyl-6-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-4-[[4-(1-adamantyl)anilino]methylene]-2-iodo-6-methoxy-cyclohexa-2,5-dien-1-one CAS Name: (4Z)-4-[[4-(1-adamantyl)anilino]methylidene]-2-iodo-6-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-4-[[4-(1-adamantyl)anilino]methylidene]-2-iodo-6-methoxycyclohexa-2,5-dien-1-one Traditional Name: (4Z)-4-[[4-(1-adamantyl)anilino]methylene]-2-iodo-6-methoxy-cyclohexa-2,5-dien-1-one Formula: C24H26INO2 MolecularWeight: 487.37321

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)C=C(C1=O)I

Isomeric SMILES

COC1=C/C(=C/NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)/C=C(C1=O)I

InChI

InChI=1S/C24H26INO2/c1-28-22-10-18(9-21(25)23(22)27)14-26-20-4-2-19(3-5-20)24-11-15-6-16(12-24)8-17(7-15)13-24/h2-5,9-10,14-17,26H,6-8,11-13H2,1H3/b18-14+