3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-(4-butylphenyl)propanamide

Systemtic Name: 3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-(4-butylphenyl)propanamide Openeye Name: 3-(6-bromo-4-oxo-quinazolin-3-yl)-N-(4-butylphenyl)propanamide CAS Name: 3-(6-bromo-4-oxo-3-quinazolinyl)-N-(4-butylphenyl)propanamide IUPAC Name: 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-butylphenyl)propanamide Traditional Name: 3-(6-bromo-4-keto-quinazolin-3-yl)-N-(4-butylphenyl)propionamide Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C21H22BrN3O2/c1-2-3-4-15-5-8-17(9-6-15)24-20(26)11-12-25-14-23-19-10-7-16(22)13-18(19)21(25)27/h5-10,13-14H,2-4,11-12H2,1H3,(H,24,26)