2-[[[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-propyl-amino]methyl]-7-chloranyl-1H-quinazolin-4-one

Systemtic Name: 2-[[[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-propyl-amino]methyl]-7-chloranyl-1H-quinazolin-4-one Openeye Name: 2-[[[3-(4-bromophenoxy)-2-hydroxy-propyl]-propyl-amino]methyl]-7-chloro-1H-quinazolin-4-one CAS Name: 2-[[[3-(4-bromophenoxy)-2-hydroxypropyl]-propylamino]methyl]-7-chloro-1H-quinazolin-4-one IUPAC Name: 2-[[[3-(4-bromophenoxy)-2-hydroxypropyl]-propylamino]methyl]-7-chloro-1H-quinazolin-4-one Traditional Name: 2-[[[3-(4-bromophenoxy)-2-hydroxy-propyl]-propyl-amino]methyl]-7-chloro-1H-quinazolin-4-one Formula: C21H23BrClN3O3 MolecularWeight: 480.78262

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)CC(COC3=CC=C(C=C3)Br)O

Isomeric SMILES

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)CC(COC3=CC=C(C=C3)Br)O

InChI

InChI=1S/C21H23BrClN3O3/c1-2-9-26(11-16(27)13-29-17-6-3-14(22)4-7-17)12-20-24-19-10-15(23)5-8-18(19)21(28)25-20/h3-8,10,16,27H,2,9,11-13H2,1H3,(H,24,25,28)