N-[3,4-bis(fluoranyl)phenyl]-3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanamide

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanamide Openeye Name: 3-(6-bromo-4-oxo-quinazolin-3-yl)-N-(3,4-difluorophenyl)propanamide CAS Name: 3-(6-bromo-4-oxo-3-quinazolinyl)-N-(3,4-difluorophenyl)propanamide IUPAC Name: 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(3,4-difluorophenyl)propanamide Traditional Name: 3-(6-bromo-4-keto-quinazolin-3-yl)-N-(3,4-difluorophenyl)propionamide Formula: C17H12BrF2N3O2 MolecularWeight: 408.196886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br)F)F

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br)F)F

InChI

InChI=1S/C17H12BrF2N3O2/c18-10-1-4-15-12(7-10)17(25)23(9-21-15)6-5-16(24)22-11-2-3-13(19)14(20)8-11/h1-4,7-9H,5-6H2,(H,22,24)