N3-(6-chloranylpyridin-3-yl)-7-fluoranyl-N6-(pyridin-3-ylmethyl)-1,2-benzoxazole-3,6-diamine

Systemtic Name: N3-(6-chloranylpyridin-3-yl)-7-fluoranyl-N6-(pyridin-3-ylmethyl)-1,2-benzoxazole-3,6-diamine Openeye Name: N3-(6-chloro-3-pyridyl)-7-fluoro-N6-(3-pyridylmethyl)-1,2-benzoxazole-3,6-diamine CAS Name: N3-(6-chloro-3-pyridinyl)-7-fluoro-N6-(3-pyridinylmethyl)-1,2-benzoxazole-3,6-diamine IUPAC Name: 3-N-(6-chloropyridin-3-yl)-7-fluoro-6-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-3,6-diamine Traditional Name: (6-chloro-3-pyridyl)-[7-fluoro-6-(3-pyridylmethylamino)indoxazen-3-yl]amine Formula: C18H13ClFN5O MolecularWeight: 369.780123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=C(C3=C(C=C2)C(=NO3)NC4=CN=C(C=C4)Cl)F

Isomeric SMILES

C1=CC(=CN=C1)CNC2=C(C3=C(C=C2)C(=NO3)NC4=CN=C(C=C4)Cl)F

InChI

InChI=1S/C18H13ClFN5O/c19-15-6-3-12(10-23-15)24-18-13-4-5-14(16(20)17(13)26-25-18)22-9-11-2-1-7-21-8-11/h1-8,10,22H,9H2,(H,24,25)