N-[(2S)-1-phenylmethoxy-3-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]adamantane-1-carboxamide dichloride

Systemtic Name: N-[(2S)-1-phenylmethoxy-3-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]adamantane-1-carboxamide dichloride Openeye Name: N-[(1S)-1-(benzyloxymethyl)-2-(4-benzylpiperazin-1-yl)ethyl]adamantane-1-carboxamide dichloride CAS Name: N-[(2S)-1-phenylmethoxy-3-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]-1-adamantanecarboxamide dichloride IUPAC Name: N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-phenylmethoxypropan-2-yl]adamantane-1-carboxamide dichloride Traditional Name: N-[(1S)-1-(benzoxymethyl)-2-(4-benzylpiperazino)ethyl]adamantane-1-carboxamide dichloride Formula: C32H43Cl2N3O2-2 MolecularWeight: 572.60872

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC(COCC3=CC=CC=C3)NC(=O)C45CC6CC(C4)CC(C6)C5.[Cl-].[Cl-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C[C@@H](COCC3=CC=CC=C3)NC(=O)C45CC6CC(C4)CC(C6)C5.[Cl-].[Cl-]

InChI

InChI=1S/C32H43N3O2.2ClH/c36-31(32-18-27-15-28(19-32)17-29(16-27)20-32)33-30(24-37-23-26-9-5-2-6-10-26)22-35-13-11-34(12-14-35)21-25-7-3-1-4-8-25;;/h1-10,27-30H,11-24H2,(H,33,36);2*1H/p-2/t27?,28?,29?,30-,32?;;/m0../s1