2-(3-bromanyl-1-adamantyl)-N-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)CC34CC5CC(C3)CC(C5)(C4)Br

InChI

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