ethyl 6-chloranyl-1-ethyl-7-[imidazol-1-yl(phenyl)methyl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-1-ethyl-7-[imidazol-1-yl(phenyl)methyl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 6-chloro-1-ethyl-7-[imidazol-1-yl(phenyl)methyl]-4-oxo-quinoline-3-carboxylate CAS Name: 6-chloro-1-ethyl-7-[1-imidazolyl(phenyl)methyl]-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-1-ethyl-7-[imidazol-1-yl(phenyl)methyl]-4-oxoquinoline-3-carboxylate Traditional Name: 6-chloro-1-ethyl-7-[imidazol-1-yl(phenyl)methyl]-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C24H22ClN3O3 MolecularWeight: 435.90278

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)C(C3=CC=CC=C3)N4C=CN=C4)Cl)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)C(C3=CC=CC=C3)N4C=CN=C4)Cl)C(=O)OCC

InChI

InChI=1S/C24H22ClN3O3/c1-3-27-14-19(24(30)31-4-2)23(29)18-12-20(25)17(13-21(18)27)22(28-11-10-26-15-28)16-8-6-5-7-9-16/h5-15,22H,3-4H2,1-2H3