N-[2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]adamantane-1-carboxamide Openeye Name: N-[2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]adamantane-1-carboxamide CAS Name: N-[2-(4-dimethylaminophenyl)-2-(4-phenyl-1-piperazinyl)ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]adamantane-1-carboxamide Traditional Name: N-[2-(4-dimethylaminophenyl)-2-(4-phenylpiperazino)ethyl]adamantane-1-carboxamide Formula: C31H42N4O MolecularWeight: 486.69138

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C23CC4CC(C2)CC(C4)C3)N5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(CNC(=O)C23CC4CC(C2)CC(C4)C3)N5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C31H42N4O/c1-33(2)27-10-8-26(9-11-27)29(35-14-12-34(13-15-35)28-6-4-3-5-7-28)22-32-30(36)31-19-23-16-24(20-31)18-25(17-23)21-31/h3-11,23-25,29H,12-22H2,1-2H3,(H,32,36)