N-[2-methyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[2-methyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-1,1-dimethyl-ethyl]adamantane-1-carboxamide CAS Name: N-[2-methyl-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[1-(4-benzylpiperazin-1-yl)-2-methylpropan-2-yl]adamantane-1-carboxamide Traditional Name: N-[2-(4-benzylpiperazino)-1,1-dimethyl-ethyl]adamantane-1-carboxamide Formula: C26H39N3O MolecularWeight: 409.60736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1CCN(CC1)CC2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)(CN1CCN(CC1)CC2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H39N3O/c1-25(2,19-29-10-8-28(9-11-29)18-20-6-4-3-5-7-20)27-24(30)26-15-21-12-22(16-26)14-23(13-21)17-26/h3-7,21-23H,8-19H2,1-2H3,(H,27,30)