6-[[[2-methyl-5-[(5S,7R)-3-oxidanyl-1-adamantyl]phenyl]amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[2-methyl-5-[(5S,7R)-3-oxidanyl-1-adamantyl]phenyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[5-[(5S,7R)-3-hydroxy-1-adamantyl]-2-methyl-anilino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[5-[(5S,7R)-3-hydroxy-1-adamantyl]-2-methylanilino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[5-[(5S,7R)-3-hydroxy-1-adamantyl]-2-methylanilino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[5-[(5S,7R)-3-hydroxy-1-adamantyl]-2-methyl-anilino]methylene]cyclohexa-2,4-dien-1-one Formula: C24H27NO2 MolecularWeight: 361.47668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)O)NC=C5C=CC=CC5=O

Isomeric SMILES

CC1=C(C=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)NC=C5C=CC=CC5=O

InChI

InChI=1S/C24H27NO2/c1-16-6-7-20(9-21(16)25-14-19-4-2-3-5-22(19)26)23-10-17-8-18(11-23)13-24(27,12-17)15-23/h2-7,9,14,17-18,25,27H,8,10-13,15H2,1H3/t17-,18+,23?,24?