(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-ethyl-4-methyl-quinoline-3-carboxylate

Systemtic Name: (6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-ethyl-4-methyl-quinoline-3-carboxylate Openeye Name: (6-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-ethyl-4-methyl-quinoline-3-carboxylate CAS Name: 2-ethyl-4-methyl-3-quinolinecarboxylic acid (6-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (6-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-ethyl-4-methylquinoline-3-carboxylate Traditional Name: 2-ethyl-4-methyl-quinoline-3-carboxylic acid (6-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C22H18ClN3O3 MolecularWeight: 407.84962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C(=O)OCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C(=O)OCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl)C

InChI

InChI=1S/C22H18ClN3O3/c1-3-16-20(12(2)14-6-4-5-7-17(14)24-16)22(28)29-11-19-25-18-9-8-13(23)10-15(18)21(27)26-19/h4-10H,3,11H2,1-2H3,(H,25,26,27)