1-[[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methylamino]methylidene]naphthalen-2-one

Systemtic Name: 1-[[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methylamino]methylidene]naphthalen-2-one Openeye Name: 1-[[[(5S,7R)-3-(p-tolyl)-1-adamantyl]methylamino]methylene]naphthalen-2-one CAS Name: 1-[[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methylamino]methylidene]-2-naphthalenone IUPAC Name: 1-[[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methylamino]methylidene]naphthalen-2-one Traditional Name: 1-[[[(5S,7R)-3-(p-tolyl)-1-adamantyl]methylamino]methylene]naphthalen-2-one Formula: C29H31NO MolecularWeight: 409.56254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31NO/c1-20-6-9-24(10-7-20)29-15-21-12-22(16-29)14-28(13-21,18-29)19-30-17-26-25-5-3-2-4-23(25)8-11-27(26)31/h2-11,17,21-22,30H,12-16,18-19H2,1H3/t21-,22+,28?,29?