methyl 3-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]adamantane-1-carboxylate

Systemtic Name: methyl 3-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]adamantane-1-carboxylate Openeye Name: methyl 3-[3-(4-oxoquinazolin-3-yl)propanoylamino]adamantane-1-carboxylate CAS Name: 3-[[1-oxo-3-(4-oxo-3-quinazolinyl)propyl]amino]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-(4-oxoquinazolin-3-yl)propanoylamino]adamantane-1-carboxylate Traditional Name: 3-[3-(4-ketoquinazolin-3-yl)propanoylamino]adamantane-1-carboxylic acid methyl ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC3CC(C1)CC(C3)(C2)NC(=O)CCN4C=NC5=CC=CC=C5C4=O

Isomeric SMILES

COC(=O)C12CC3CC(C1)CC(C3)(C2)NC(=O)CCN4C=NC5=CC=CC=C5C4=O

InChI

InChI=1S/C23H27N3O4/c1-30-21(29)22-9-15-8-16(10-22)12-23(11-15,13-22)25-19(27)6-7-26-14-24-18-5-3-2-4-17(18)20(26)28/h2-5,14-16H,6-13H2,1H3,(H,25,27)