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

Systemtic Name: 4-chloranyl-N-[[3-(4-methylphenyl)-1-adamantyl]methyl]benzamide Openeye Name: 4-chloro-N-[[3-(p-tolyl)-1-adamantyl]methyl]benzamide CAS Name: 4-chloro-N-[[3-(4-methylphenyl)-1-adamantyl]methyl]benzamide IUPAC Name: 4-chloro-N-[[3-(4-methylphenyl)-1-adamantyl]methyl]benzamide Traditional Name: 4-chloro-N-[[3-(p-tolyl)-1-adamantyl]methyl]benzamide Formula: C25H28ClNO MolecularWeight: 393.94892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)CNC(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)CNC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H28ClNO/c1-17-2-6-21(7-3-17)25-13-18-10-19(14-25)12-24(11-18,15-25)16-27-23(28)20-4-8-22(26)9-5-20/h2-9,18-19H,10-16H2,1H3,(H,27,28)