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

Systemtic Name: N-[2-methyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]adamantane-1-carboxamide dichloride Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-1,1-dimethyl-ethyl]adamantane-1-carboxamide dichloride CAS Name: N-[2-methyl-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]-1-adamantanecarboxamide dichloride IUPAC Name: N-[1-(4-benzylpiperazin-1-yl)-2-methylpropan-2-yl]adamantane-1-carboxamide dichloride Traditional Name: N-[2-(4-benzylpiperazino)-1,1-dimethyl-ethyl]adamantane-1-carboxamide dichloride Formula: C26H39Cl2N3O-2 MolecularWeight: 480.51336

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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.[Cl-].[Cl-]

Isomeric SMILES

CC(C)(CN1CCN(CC1)CC2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4.[Cl-].[Cl-]

InChI

InChI=1S/C26H39N3O.2ClH/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);2*1H/p-2