[3-(3-fluoranylphenoxy)-2-(isoquinolin-5-ylcarbamoylamino)propyl]carbamic acid

Systemtic Name: [3-(3-fluoranylphenoxy)-2-(isoquinolin-5-ylcarbamoylamino)propyl]carbamic acid Openeye Name: [3-(3-fluorophenoxy)-2-(5-isoquinolylcarbamoylamino)propyl]carbamic acid CAS Name: [3-(3-fluorophenoxy)-2-[[(5-isoquinolinylamino)-oxomethyl]amino]propyl]carbamic acid IUPAC Name: [3-(3-fluorophenoxy)-2-(isoquinolin-5-ylcarbamoylamino)propyl]carbamic acid Traditional Name: [3-(3-fluorophenoxy)-2-(5-isoquinolylcarbamoylamino)propyl]carbamic acid Formula: C20H19FN4O4 MolecularWeight: 398.387663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)OCC(CNC(=O)O)NC(=O)NC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

C1=CC(=CC(=C1)F)OCC(CNC(=O)O)NC(=O)NC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H19FN4O4/c21-14-4-2-5-16(9-14)29-12-15(11-23-20(27)28)24-19(26)25-18-6-1-3-13-10-22-8-7-17(13)18/h1-10,15,23H,11-12H2,(H,27,28)(H2,24,25,26)