3-[7-chloranyl-6-(4-chloranylphenoxy)-4-oxidanylidene-3-(3-oxidanylpiperidin-2-yl)quinazolin-2-yl]propanal dihydrobromide

Systemtic Name: 3-[7-chloranyl-6-(4-chloranylphenoxy)-4-oxidanylidene-3-(3-oxidanylpiperidin-2-yl)quinazolin-2-yl]propanal dihydrobromide Openeye Name: 3-[7-chloro-6-(4-chlorophenoxy)-3-(3-hydroxy-2-piperidyl)-4-oxo-quinazolin-2-yl]propanal dihydrobromide CAS Name: 3-[7-chloro-6-(4-chlorophenoxy)-3-(3-hydroxy-2-piperidinyl)-4-oxo-2-quinazolinyl]propanal dihydrobromide IUPAC Name: 3-[7-chloro-6-(4-chlorophenoxy)-3-(3-hydroxypiperidin-2-yl)-4-oxoquinazolin-2-yl]propanal dihydrobromide Traditional Name: 3-[7-chloro-6-(4-chlorophenoxy)-3-(3-hydroxy-2-piperidyl)-4-keto-quinazolin-2-yl]propionaldehyde dihydrobromide Formula: C22H23Br2Cl2N3O4 MolecularWeight: 624.14972

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(NC1)N2C(=NC3=CC(=C(C=C3C2=O)OC4=CC=C(C=C4)Cl)Cl)CCC=O)O.Br.Br

Isomeric SMILES

C1CC(C(NC1)N2C(=NC3=CC(=C(C=C3C2=O)OC4=CC=C(C=C4)Cl)Cl)CCC=O)O.Br.Br

InChI

InChI=1S/C22H21Cl2N3O4.2BrH/c23-13-5-7-14(8-6-13)31-19-11-15-17(12-16(19)24)26-20(4-2-10-28)27(22(15)30)21-18(29)3-1-9-25-21;;/h5-8,10-12,18,21,25,29H,1-4,9H2;2*1H