N-(1-adamantyl)-3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanamide

Systemtic Name: N-(1-adamantyl)-3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanamide Openeye Name: N-(1-adamantyl)-3-(6-bromo-4-oxo-quinazolin-3-yl)propanamide CAS Name: N-(1-adamantyl)-3-(6-bromo-4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-(1-adamantyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide Traditional Name: N-(1-adamantyl)-3-(6-bromo-4-keto-quinazolin-3-yl)propionamide Formula: C21H24BrN3O2 MolecularWeight: 430.33816

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CCN4C=NC5=C(C4=O)C=C(C=C5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CCN4C=NC5=C(C4=O)C=C(C=C5)Br

InChI

InChI=1S/C21H24BrN3O2/c22-16-1-2-18-17(8-16)20(27)25(12-23-18)4-3-19(26)24-21-9-13-5-14(10-21)7-15(6-13)11-21/h1-2,8,12-15H,3-7,9-11H2,(H,24,26)