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

Systemtic Name: 7-fluoranyl-N3-(6-methylpyridin-3-yl)-N6-(2-phenylpropyl)-1,2-benzoxazole-3,6-diamine Openeye Name: 7-fluoro-N3-(6-methyl-3-pyridyl)-N6-(2-phenylpropyl)-1,2-benzoxazole-3,6-diamine CAS Name: 7-fluoro-N3-(6-methyl-3-pyridinyl)-N6-(2-phenylpropyl)-1,2-benzoxazole-3,6-diamine IUPAC Name: 7-fluoro-3-N-(6-methylpyridin-3-yl)-6-N-(2-phenylpropyl)-1,2-benzoxazole-3,6-diamine Traditional Name: [7-fluoro-3-[(6-methyl-3-pyridyl)amino]indoxazen-6-yl]-(2-phenylpropyl)amine Formula: C22H21FN4O MolecularWeight: 376.426743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)NC2=NOC3=C2C=CC(=C3F)NCC(C)C4=CC=CC=C4

Isomeric SMILES

CC1=NC=C(C=C1)NC2=NOC3=C2C=CC(=C3F)NCC(C)C4=CC=CC=C4

InChI

InChI=1S/C22H21FN4O/c1-14(16-6-4-3-5-7-16)12-25-19-11-10-18-21(20(19)23)28-27-22(18)26-17-9-8-15(2)24-13-17/h3-11,13-14,25H,12H2,1-2H3,(H,26,27)