N-[[3-(4-methylphenyl)-1-adamantyl]methyl]pentanamide

Systemtic Name: N-[[3-(4-methylphenyl)-1-adamantyl]methyl]pentanamide Openeye Name: N-[[3-(p-tolyl)-1-adamantyl]methyl]pentanamide CAS Name: N-[[3-(4-methylphenyl)-1-adamantyl]methyl]pentanamide IUPAC Name: N-[[3-(4-methylphenyl)-1-adamantyl]methyl]pentanamide Traditional Name: N-[[3-(p-tolyl)-1-adamantyl]methyl]valeramide Formula: C23H33NO MolecularWeight: 339.51422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NCC12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCC(=O)NCC12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H33NO/c1-3-4-5-21(25)24-16-22-11-18-10-19(12-22)14-23(13-18,15-22)20-8-6-17(2)7-9-20/h6-9,18-19H,3-5,10-16H2,1-2H3,(H,24,25)