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

Systemtic Name: 7-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(dimethylaminomethyl)-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 7-[(3-chloro-2-fluoro-phenyl)methyl]-1-(dimethylaminomethyl)-4-oxo-quinolizine-3-carboxylic acid CAS Name: 7-[(3-chloro-2-fluorophenyl)methyl]-1-(dimethylaminomethyl)-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 7-[(3-chloro-2-fluorophenyl)methyl]-1-(dimethylaminomethyl)-4-oxoquinolizine-3-carboxylic acid Traditional Name: 7-(3-chloro-2-fluoro-benzyl)-1-(dimethylaminomethyl)-4-keto-quinolizine-3-carboxylic acid Formula: C20H18ClFN2O3 MolecularWeight: 388.819923

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C2C=CC(=CN2C(=O)C(=C1)C(=O)O)CC3=C(C(=CC=C3)Cl)F

Isomeric SMILES

CN(C)CC1=C2C=CC(=CN2C(=O)C(=C1)C(=O)O)CC3=C(C(=CC=C3)Cl)F

InChI

InChI=1S/C20H18ClFN2O3/c1-23(2)11-14-9-15(20(26)27)19(25)24-10-12(6-7-17(14)24)8-13-4-3-5-16(21)18(13)22/h3-7,9-10H,8,11H2,1-2H3,(H,26,27)