1-(2-ethoxyphenoxy)-3-[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]propan-2-ol hydrate dihydrochloride

Systemtic Name: 1-(2-ethoxyphenoxy)-3-[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]propan-2-ol hydrate dihydrochloride Openeye Name: 1-(2-ethoxyphenoxy)-3-[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]propan-2-ol hydrate dihydrochloride CAS Name: 1-(2-ethoxyphenoxy)-3-[4-(2-phenyl-4-quinazolinyl)-1-piperazinyl]-2-propanol hydrate dihydrochloride IUPAC Name: 1-(2-ethoxyphenoxy)-3-[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]propan-2-ol hydrate dihydrochloride Traditional Name: 1-(2-ethoxyphenoxy)-3-[4-(2-phenylquinazolin-4-yl)piperazino]propan-2-ol hydrate dihydrochloride Formula: C29H36Cl2N4O4 MolecularWeight: 575.52654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCC(CN2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CC=CC=C5)O.O.Cl.Cl

Isomeric SMILES

CCOC1=CC=CC=C1OCC(CN2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CC=CC=C5)O.O.Cl.Cl

InChI

InChI=1S/C29H32N4O3.2ClH.H2O/c1-2-35-26-14-8-9-15-27(26)36-21-23(34)20-32-16-18-33(19-17-32)29-24-12-6-7-13-25(24)30-28(31-29)22-10-4-3-5-11-22;;;/h3-15,23,34H,2,16-21H2,1H3;2*1H;1H2