3-(4-chlorophenyl)-N-[(4-dimethylaminophenyl)methyl]adamantane-1-carboxamide

Systemtic Name: 3-(4-chlorophenyl)-N-[(4-dimethylaminophenyl)methyl]adamantane-1-carboxamide Openeye Name: 3-(4-chlorophenyl)-N-[(4-dimethylaminophenyl)methyl]adamantane-1-carboxamide CAS Name: 3-(4-chlorophenyl)-N-[(4-dimethylaminophenyl)methyl]-1-adamantanecarboxamide IUPAC Name: 3-(4-chlorophenyl)-N-[(4-dimethylaminophenyl)methyl]adamantane-1-carboxamide Traditional Name: 3-(4-chlorophenyl)-N-[4-(dimethylamino)benzyl]adamantane-1-carboxamide Formula: C26H31ClN2O MolecularWeight: 422.99014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31ClN2O/c1-29(2)23-9-3-18(4-10-23)16-28-24(30)26-14-19-11-20(15-26)13-25(12-19,17-26)21-5-7-22(27)8-6-21/h3-10,19-20H,11-17H2,1-2H3,(H,28,30)