methyl 1-[3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[3-(6-bromo-4-oxo-quinazolin-3-yl)propanoylamino]cyclohexanecarboxylate CAS Name: 1-[[3-(6-bromo-4-oxo-3-quinazolinyl)-1-oxopropyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoylamino]cyclohexane-1-carboxylate Traditional Name: 1-[3-(6-bromo-4-keto-quinazolin-3-yl)propanoylamino]cyclohexanecarboxylic acid methyl ester Formula: C19H22BrN3O4 MolecularWeight: 436.29968

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C19H22BrN3O4/c1-27-18(26)19(8-3-2-4-9-19)22-16(24)7-10-23-12-21-15-6-5-13(20)11-14(15)17(23)25/h5-6,11-12H,2-4,7-10H2,1H3,(H,22,24)