N-(1-adamantylmethyl)-2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide

Systemtic Name: N-(1-adamantylmethyl)-2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-(1-adamantylmethyl)-2-(6-nitro-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-(1-adamantylmethyl)-2-(6-nitro-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-(1-adamantylmethyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-(1-adamantylmethyl)-2-(4-keto-6-nitro-quinazolin-3-yl)acetamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)CN4C=NC5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)CN4C=NC5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4/c26-19(22-11-21-7-13-3-14(8-21)5-15(4-13)9-21)10-24-12-23-18-2-1-16(25(28)29)6-17(18)20(24)27/h1-2,6,12-15H,3-5,7-11H2,(H,22,26)