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

Systemtic Name: 4-[[[5-(1-adamantyl)-2-methyl-phenyl]amino]methylidene]-2-bromanyl-6-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[5-(1-adamantyl)-2-methyl-anilino]methylene]-2-bromo-6-methoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[5-(1-adamantyl)-2-methylanilino]methylidene]-2-bromo-6-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[5-(1-adamantyl)-2-methylanilino]methylidene]-2-bromo-6-methoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[5-(1-adamantyl)-2-methyl-anilino]methylene]-2-bromo-6-methoxy-cyclohexa-2,5-dien-1-one Formula: C25H28BrNO2 MolecularWeight: 454.39932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)NC=C5C=C(C(=O)C(=C5)Br)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)NC=C5C=C(C(=O)C(=C5)Br)OC

InChI

InChI=1S/C25H28BrNO2/c1-15-3-4-20(25-11-16-5-17(12-25)7-18(6-16)13-25)10-22(15)27-14-19-8-21(26)24(28)23(9-19)29-2/h3-4,8-10,14,16-18,27H,5-7,11-13H2,1-2H3