1-(2-methoxyphenoxy)-3-[(2-phenylquinazolin-4-yl)amino]propan-2-ol hydrate

Systemtic Name: 1-(2-methoxyphenoxy)-3-[(2-phenylquinazolin-4-yl)amino]propan-2-ol hydrate Openeye Name: 1-(2-methoxyphenoxy)-3-[(2-phenylquinazolin-4-yl)amino]propan-2-ol hydrate CAS Name: 1-(2-methoxyphenoxy)-3-[(2-phenyl-4-quinazolinyl)amino]-2-propanol hydrate IUPAC Name: 1-(2-methoxyphenoxy)-3-[(2-phenylquinazolin-4-yl)amino]propan-2-ol hydrate Traditional Name: 1-(2-methoxyphenoxy)-3-[(2-phenylquinazolin-4-yl)amino]propan-2-ol hydrate Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC(CNC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4)O.O

Isomeric SMILES

COC1=CC=CC=C1OCC(CNC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4)O.O

InChI

InChI=1S/C24H23N3O3.H2O/c1-29-21-13-7-8-14-22(21)30-16-18(28)15-25-24-19-11-5-6-12-20(19)26-23(27-24)17-9-3-2-4-10-17;/h2-14,18,28H,15-16H2,1H3,(H,25,26,27);1H2