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

Systemtic Name: 4-[[[5-(1-adamantyl)-2-methyl-phenyl]amino]methylidene]-2-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[5-(1-adamantyl)-2-methyl-anilino]methylene]-2-methoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[5-(1-adamantyl)-2-methylanilino]methylidene]-2-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[5-(1-adamantyl)-2-methylanilino]methylidene]-2-methoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[5-(1-adamantyl)-2-methyl-anilino]methylene]-2-methoxy-cyclohexa-2,5-dien-1-one Formula: C25H29NO2 MolecularWeight: 375.50326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO2/c1-16-3-5-21(25-12-18-7-19(13-25)9-20(8-18)14-25)11-22(16)26-15-17-4-6-23(27)24(10-17)28-2/h3-6,10-11,15,18-20,26H,7-9,12-14H2,1-2H3