N-[(1S)-1-(1-adamantyl)ethyl]-2-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)ethanamide

Systemtic Name: N-[(1S)-1-(1-adamantyl)ethyl]-2-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-[(1S)-1-(1-adamantyl)ethyl]-2-(6-bromo-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-[(1S)-1-(1-adamantyl)ethyl]-2-(6-bromo-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-[(1S)-1-(1-adamantyl)ethyl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-[(1S)-1-(1-adamantyl)ethyl]-2-(6-bromo-4-keto-quinazolin-3-yl)acetamide Formula: C22H26BrN3O2 MolecularWeight: 444.36474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CN4C=NC5=C(C4=O)C=C(C=C5)Br

Isomeric SMILES

C[C@@H](C12CC3CC(C1)CC(C3)C2)NC(=O)CN4C=NC5=C(C4=O)C=C(C=C5)Br

InChI

InChI=1S/C22H26BrN3O2/c1-13(22-8-14-4-15(9-22)6-16(5-14)10-22)25-20(27)11-26-12-24-19-3-2-17(23)7-18(19)21(26)28/h2-3,7,12-16H,4-6,8-11H2,1H3,(H,25,27)/t13-,14?,15?,16?,22?/m0/s1