N-(2-azanyl-5-fluoranyl-phenyl)-4-[(pyridin-3-ylmethylcarbamoylamino)methyl]benzamide

Systemtic Name: N-(2-azanyl-5-fluoranyl-phenyl)-4-[(pyridin-3-ylmethylcarbamoylamino)methyl]benzamide Openeye Name: N-(2-amino-5-fluoro-phenyl)-4-[(3-pyridylmethylcarbamoylamino)methyl]benzamide CAS Name: N-(2-amino-5-fluorophenyl)-4-[[[oxo-(3-pyridinylmethylamino)methyl]amino]methyl]benzamide IUPAC Name: N-(2-amino-5-fluorophenyl)-4-[(pyridin-3-ylmethylcarbamoylamino)methyl]benzamide Traditional Name: N-(2-amino-5-fluoro-phenyl)-4-[(3-pyridylmethylcarbamoylamino)methyl]benzamide Formula: C21H20FN5O2 MolecularWeight: 393.414203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=O)NCC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)F)N

Isomeric SMILES

C1=CC(=CN=C1)CNC(=O)NCC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)F)N

InChI

InChI=1S/C21H20FN5O2/c22-17-7-8-18(23)19(10-17)27-20(28)16-5-3-14(4-6-16)12-25-21(29)26-13-15-2-1-9-24-11-15/h1-11H,12-13,23H2,(H,27,28)(H2,25,26,29)