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

Systemtic Name: 7-fluoranyl-N3-(6-methylpyridin-3-yl)-N6-phenethyl-1,2-benzoxazole-3,6-diamine Openeye Name: 7-fluoro-N3-(6-methyl-3-pyridyl)-N6-phenethyl-1,2-benzoxazole-3,6-diamine CAS Name: 7-fluoro-N3-(6-methyl-3-pyridinyl)-N6-phenethyl-1,2-benzoxazole-3,6-diamine IUPAC Name: 7-fluoro-3-N-(6-methylpyridin-3-yl)-6-N-phenethyl-1,2-benzoxazole-3,6-diamine Traditional Name: [7-fluoro-3-[(6-methyl-3-pyridyl)amino]indoxazen-6-yl]-phenethyl-amine Formula: C21H19FN4O MolecularWeight: 362.400163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)NC2=NOC3=C2C=CC(=C3F)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=NC=C(C=C1)NC2=NOC3=C2C=CC(=C3F)NCCC4=CC=CC=C4

InChI

InChI=1S/C21H19FN4O/c1-14-7-8-16(13-24-14)25-21-17-9-10-18(19(22)20(17)27-26-21)23-12-11-15-5-3-2-4-6-15/h2-10,13,23H,11-12H2,1H3,(H,25,26)