(2S)-1-[4-(1-adamantyl)piperazin-1-yl]-3-phenethyloxy-propan-2-ol

Systemtic Name: (2S)-1-[4-(1-adamantyl)piperazin-1-yl]-3-phenethyloxy-propan-2-ol Openeye Name: (2S)-1-[4-(1-adamantyl)piperazin-1-yl]-3-phenethyloxy-propan-2-ol CAS Name: (2S)-1-[4-(1-adamantyl)-1-piperazinyl]-3-phenethyloxy-2-propanol IUPAC Name: (2S)-1-[4-(1-adamantyl)piperazin-1-yl]-3-phenethyloxypropan-2-ol Traditional Name: (2S)-1-[4-(1-adamantyl)piperazino]-3-phenethyloxy-propan-2-ol Formula: C25H38N2O2 MolecularWeight: 398.58142

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COCCC2=CC=CC=C2)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C[C@@H](COCCC2=CC=CC=C2)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H38N2O2/c28-24(19-29-11-6-20-4-2-1-3-5-20)18-26-7-9-27(10-8-26)25-15-21-12-22(16-25)14-23(13-21)17-25/h1-5,21-24,28H,6-19H2/t21?,22?,23?,24-,25?/m0/s1