(7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-ethyl-4-methyl-quinoline-3-carboxylate

Systemtic Name: (7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-ethyl-4-methyl-quinoline-3-carboxylate Openeye Name: (7-chloro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-ethyl-4-methyl-quinoline-3-carboxylate CAS Name: 2-ethyl-4-methyl-3-quinolinecarboxylic acid (7-chloro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-ethyl-4-methylquinoline-3-carboxylate Traditional Name: 2-ethyl-4-methyl-quinoline-3-carboxylic acid (7-chloro-4-keto-pyrido[1,2-a]pyrimidin-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=CC(=O)N4C=C(C=CC4=N3)Cl)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Cl)C

InChI

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