1-(benzamidomethyl)-7-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 1-(benzamidomethyl)-7-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 1-(benzamidomethyl)-7-[(3-chloro-2-fluoro-phenyl)methyl]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 1-(benzamidomethyl)-7-[(3-chloro-2-fluorophenyl)methyl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 1-(benzamidomethyl)-7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 1-(benzamidomethyl)-7-(3-chloro-2-fluoro-benzyl)-4-keto-quinolizine-3-carboxylic acid Formula: C25H18ClFN2O4 MolecularWeight: 464.872823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC2=C3C=CC(=CN3C(=O)C(=C2)C(=O)O)CC4=C(C(=CC=C4)Cl)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC2=C3C=CC(=CN3C(=O)C(=C2)C(=O)O)CC4=C(C(=CC=C4)Cl)F

InChI

InChI=1S/C25H18ClFN2O4/c26-20-8-4-7-17(22(20)27)11-15-9-10-21-18(12-19(25(32)33)24(31)29(21)14-15)13-28-23(30)16-5-2-1-3-6-16/h1-10,12,14H,11,13H2,(H,28,30)(H,32,33)