N-(1-adamantyl)-N-[(4-fluorophenyl)methyl]-2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide

Systemtic Name: N-(1-adamantyl)-N-[(4-fluorophenyl)methyl]-2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-(1-adamantyl)-N-[(4-fluorophenyl)methyl]-2-(6-nitro-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-(1-adamantyl)-N-[(4-fluorophenyl)methyl]-2-(6-nitro-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-(1-adamantyl)-N-[(4-fluorophenyl)methyl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-(1-adamantyl)-N-(4-fluorobenzyl)-2-(4-keto-6-nitro-quinazolin-3-yl)acetamide Formula: C27H27FN4O4 MolecularWeight: 490.526083

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=C(C=C4)F)C(=O)CN5C=NC6=C(C5=O)C=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=C(C=C4)F)C(=O)CN5C=NC6=C(C5=O)C=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C27H27FN4O4/c28-21-3-1-17(2-4-21)14-31(27-11-18-7-19(12-27)9-20(8-18)13-27)25(33)15-30-16-29-24-6-5-22(32(35)36)10-23(24)26(30)34/h1-6,10,16,18-20H,7-9,11-15H2