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

Systemtic Name: 1-[[[2-methyl-5-[(5S,7R)-3-oxidanyl-1-adamantyl]phenyl]amino]methylidene]naphthalen-2-one Openeye Name: 1-[[5-[(5S,7R)-3-hydroxy-1-adamantyl]-2-methyl-anilino]methylene]naphthalen-2-one CAS Name: 1-[[5-[(5S,7R)-3-hydroxy-1-adamantyl]-2-methylanilino]methylidene]-2-naphthalenone IUPAC Name: 1-[[5-[(5S,7R)-3-hydroxy-1-adamantyl]-2-methylanilino]methylidene]naphthalen-2-one Traditional Name: 1-[[5-[(5S,7R)-3-hydroxy-1-adamantyl]-2-methyl-anilino]methylene]naphthalen-2-one Formula: C28H29NO2 MolecularWeight: 411.53536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)O)NC=C5C(=O)C=CC6=CC=CC=C65

Isomeric SMILES

CC1=C(C=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)NC=C5C(=O)C=CC6=CC=CC=C65

InChI

InChI=1S/C28H29NO2/c1-18-6-8-22(27-12-19-10-20(13-27)15-28(31,14-19)17-27)11-25(18)29-16-24-23-5-3-2-4-21(23)7-9-26(24)30/h2-9,11,16,19-20,29,31H,10,12-15,17H2,1H3/t19-,20+,27?,28?