1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 3-chloranyladamantane-1-carboxylate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 3-chloranyladamantane-1-carboxylate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

InChI

InChI=1S/C21H23ClN2O3/c1-12(17-23-16-5-3-2-4-15(16)18(25)24-17)27-19(26)20-7-13-6-14(8-20)10-21(22,9-13)11-20/h2-5,12-14H,6-11H2,1H3,(H,23,24,25)