2-[[4-[3-(3-bromanylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[3-(3-bromanylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[3-(3-bromophenoxy)-2-hydroxy-propyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[3-(3-bromophenoxy)-2-hydroxypropyl]-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[3-(3-bromophenoxy)-2-hydroxypropyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-[3-(3-bromophenoxy)-2-hydroxy-propyl]piperazino]methyl]-1H-quinazolin-4-one Formula: C22H25BrN4O3 MolecularWeight: 473.3629

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC(=O)C3=CC=CC=C3N2)CC(COC4=CC(=CC=C4)Br)O

Isomeric SMILES

C1CN(CCN1CC2=NC(=O)C3=CC=CC=C3N2)CC(COC4=CC(=CC=C4)Br)O

InChI

InChI=1S/C22H25BrN4O3/c23-16-4-3-5-18(12-16)30-15-17(28)13-26-8-10-27(11-9-26)14-21-24-20-7-2-1-6-19(20)22(29)25-21/h1-7,12,17,28H,8-11,13-15H2,(H,24,25,29)