1-[4-(1-adamantyl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol dihydrochloride

Systemtic Name: 1-[4-(1-adamantyl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol dihydrochloride Openeye Name: 1-[4-(1-adamantyl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol dihydrochloride CAS Name: 1-[4-(1-adamantyl)phenoxy]-3-(4-phenyl-1-piperazinyl)-2-propanol dihydrochloride IUPAC Name: 1-[4-(1-adamantyl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol dihydrochloride Traditional Name: 1-[4-(1-adamantyl)phenoxy]-3-(4-phenylpiperazino)propan-2-ol dihydrochloride Formula: C29H40Cl2N2O2 MolecularWeight: 519.5461

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O)C6=CC=CC=C6.Cl.Cl

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O)C6=CC=CC=C6.Cl.Cl

InChI

InChI=1S/C29H38N2O2.2ClH/c32-27(20-30-10-12-31(13-11-30)26-4-2-1-3-5-26)21-33-28-8-6-25(7-9-28)29-17-22-14-23(18-29)16-24(15-22)19-29;;/h1-9,22-24,27,32H,10-21H2;2*1H