3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[[2-(phenoxymethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[[2-(phenoxymethyl)phenyl]methyl]propanamide Openeye Name: 3-(6-bromo-4-oxo-quinazolin-3-yl)-N-[[2-(phenoxymethyl)phenyl]methyl]propanamide CAS Name: 3-(6-bromo-4-oxo-3-quinazolinyl)-N-[[2-(phenoxymethyl)phenyl]methyl]propanamide IUPAC Name: 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[[2-(phenoxymethyl)phenyl]methyl]propanamide Traditional Name: 3-(6-bromo-4-keto-quinazolin-3-yl)-N-[2-(phenoxymethyl)benzyl]propionamide Formula: C25H22BrN3O3 MolecularWeight: 492.36448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=CC=CC=C2CNC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)OCC2=CC=CC=C2CNC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C25H22BrN3O3/c26-20-10-11-23-22(14-20)25(31)29(17-28-23)13-12-24(30)27-15-18-6-4-5-7-19(18)16-32-21-8-2-1-3-9-21/h1-11,14,17H,12-13,15-16H2,(H,27,30)