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

Systemtic Name: N3-(6-chloranylpyridin-3-yl)-7-fluoranyl-N6-(2-phenylpropyl)-1,2-benzoxazole-3,6-diamine Openeye Name: N3-(6-chloro-3-pyridyl)-7-fluoro-N6-(2-phenylpropyl)-1,2-benzoxazole-3,6-diamine CAS Name: N3-(6-chloro-3-pyridinyl)-7-fluoro-N6-(2-phenylpropyl)-1,2-benzoxazole-3,6-diamine IUPAC Name: 3-N-(6-chloropyridin-3-yl)-7-fluoro-6-N-(2-phenylpropyl)-1,2-benzoxazole-3,6-diamine Traditional Name: (6-chloro-3-pyridyl)-[7-fluoro-6-(2-phenylpropylamino)indoxazen-3-yl]amine Formula: C21H18ClFN4O MolecularWeight: 396.845223

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=C(C2=C(C=C1)C(=NO2)NC3=CN=C(C=C3)Cl)F)C4=CC=CC=C4

Isomeric SMILES

CC(CNC1=C(C2=C(C=C1)C(=NO2)NC3=CN=C(C=C3)Cl)F)C4=CC=CC=C4

InChI

InChI=1S/C21H18ClFN4O/c1-13(14-5-3-2-4-6-14)11-24-17-9-8-16-20(19(17)23)28-27-21(16)26-15-7-10-18(22)25-12-15/h2-10,12-13,24H,11H2,1H3,(H,26,27)