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

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

Systemtic Name:7-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-[(ethylcarbamoylamino)methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid
Openeye Name:7-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(ethylcarbamoylamino)methyl]-4-oxo-quinolizine-3-carboxylic acid
CAS Name:7-[(3-chloro-2-fluorophenyl)methyl]-1-[(ethylcarbamoylamino)methyl]-4-oxo-3-quinolizinecarboxylic acid
IUPAC Name:7-[(3-chloro-2-fluorophenyl)methyl]-1-[(ethylcarbamoylamino)methyl]-4-oxoquinolizine-3-carboxylic acid
Traditional Name:7-(3-chloro-2-fluoro-benzyl)-1-[(ethylcarbamoylamino)methyl]-4-keto-quinolizine-3-carboxylic acid
Formula: C21H19ClFN3O4
MolecularWeight: 431.844663
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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NCC1=C2C=CC(=CN2C(=O)C(=C1)C(=O)O)CC3=C(C(=CC=C3)Cl)F


Isomeric SMILES

CCNC(=O)NCC1=C2C=CC(=CN2C(=O)C(=C1)C(=O)O)CC3=C(C(=CC=C3)Cl)F


InChI

InChI=1S/C21H19ClFN3O4/c1-2-24-21(30)25-10-14-9-15(20(28)29)19(27)26-11-12(6-7-17(14)26)8-13-4-3-5-16(22)18(13)23/h3-7,9,11H,2,8,10H2,1H3,(H,28,29)(H2,24,25,30)


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