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

Systemtic Name: N3-(6-chloranylpyridin-3-yl)-7-fluoranyl-N6-phenethyl-1,2-benzoxazole-3,6-diamine Openeye Name: N3-(6-chloro-3-pyridyl)-7-fluoro-N6-phenethyl-1,2-benzoxazole-3,6-diamine CAS Name: N3-(6-chloro-3-pyridinyl)-7-fluoro-N6-phenethyl-1,2-benzoxazole-3,6-diamine IUPAC Name: 3-N-(6-chloropyridin-3-yl)-7-fluoro-6-N-phenethyl-1,2-benzoxazole-3,6-diamine Traditional Name: (6-chloro-3-pyridyl)-[7-fluoro-6-(phenethylamino)indoxazen-3-yl]amine Formula: C20H16ClFN4O MolecularWeight: 382.818643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=C(C3=C(C=C2)C(=NO3)NC4=CN=C(C=C4)Cl)F

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=C(C3=C(C=C2)C(=NO3)NC4=CN=C(C=C4)Cl)F

InChI

InChI=1S/C20H16ClFN4O/c21-17-9-6-14(12-24-17)25-20-15-7-8-16(18(22)19(15)27-26-20)23-11-10-13-4-2-1-3-5-13/h1-9,12,23H,10-11H2,(H,25,26)