3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]propanamide

Systemtic Name: 3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]propanamide Openeye Name: 3-(6-bromo-4-oxo-quinazolin-3-yl)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]propanamide CAS Name: 3-(6-bromo-4-oxo-3-quinazolinyl)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]propanamide IUPAC Name: 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]propanamide Traditional Name: 3-(6-bromo-4-keto-quinazolin-3-yl)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]propionamide Formula: C21H19BrN6O2 MolecularWeight: 467.31856

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN=C1C2=CC(=CC=C2)NC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

CCN1C=NN=C1C2=CC(=CC=C2)NC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C21H19BrN6O2/c1-2-27-13-24-26-20(27)14-4-3-5-16(10-14)25-19(29)8-9-28-12-23-18-7-6-15(22)11-17(18)21(28)30/h3-7,10-13H,2,8-9H2,1H3,(H,25,29)