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

Systemtic Name: ethyl 6-chloranyl-7-[imidazol-1-yl(phenyl)methyl]-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 6-chloro-7-[imidazol-1-yl(phenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate CAS Name: 6-chloro-7-[1-imidazolyl(phenyl)methyl]-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-7-[imidazol-1-yl(phenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 6-chloro-7-[imidazol-1-yl(phenyl)methyl]-4-keto-1H-quinoline-3-carboxylic acid ethyl ester Formula: C22H18ClN3O3 MolecularWeight: 407.84962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC2=CC(=C(C=C2C1=O)Cl)C(C3=CC=CC=C3)N4C=CN=C4

Isomeric SMILES

CCOC(=O)C1=CNC2=CC(=C(C=C2C1=O)Cl)C(C3=CC=CC=C3)N4C=CN=C4

InChI

InChI=1S/C22H18ClN3O3/c1-2-29-22(28)17-12-25-19-11-15(18(23)10-16(19)21(17)27)20(26-9-8-24-13-26)14-6-4-3-5-7-14/h3-13,20H,2H2,1H3,(H,25,27)