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

Systemtic Name: N3-(6-chloranylpyridin-3-yl)-7-fluoranyl-N6-(3-imidazol-1-ylpropyl)-1,2-benzoxazole-3,6-diamine Openeye Name: N3-(6-chloro-3-pyridyl)-7-fluoro-N6-(3-imidazol-1-ylpropyl)-1,2-benzoxazole-3,6-diamine CAS Name: N3-(6-chloro-3-pyridinyl)-7-fluoro-N6-[3-(1-imidazolyl)propyl]-1,2-benzoxazole-3,6-diamine IUPAC Name: 3-N-(6-chloropyridin-3-yl)-7-fluoro-6-N-(3-imidazol-1-ylpropyl)-1,2-benzoxazole-3,6-diamine Traditional Name: (6-chloro-3-pyridyl)-[7-fluoro-6-(3-imidazol-1-ylpropylamino)indoxazen-3-yl]amine Formula: C18H16ClFN6O MolecularWeight: 386.810643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1NC2=NOC3=C2C=CC(=C3F)NCCCN4C=CN=C4)Cl

Isomeric SMILES

C1=CC(=NC=C1NC2=NOC3=C2C=CC(=C3F)NCCCN4C=CN=C4)Cl

InChI

InChI=1S/C18H16ClFN6O/c19-15-5-2-12(10-23-15)24-18-13-3-4-14(16(20)17(13)27-25-18)22-6-1-8-26-9-7-21-11-26/h2-5,7,9-11,22H,1,6,8H2,(H,24,25)