8-fluoranyl-N-(3-phenylphenyl)-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine

Systemtic Name: 8-fluoranyl-N-(3-phenylphenyl)-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine Openeye Name: 8-fluoro-N-(3-phenylphenyl)-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine CAS Name: 8-fluoro-N-(3-phenylphenyl)-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine IUPAC Name: 8-fluoro-N-(3-phenylphenyl)-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine Traditional Name: (8-fluoro-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-yl)-(3-phenylphenyl)amine Formula: C23H17FN4O MolecularWeight: 384.405683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)F)OC3=NC=NC(=C3N1)NC4=CC=CC(=C4)C5=CC=CC=C5

Isomeric SMILES

C1C2=C(C=CC(=C2)F)OC3=NC=NC(=C3N1)NC4=CC=CC(=C4)C5=CC=CC=C5

InChI

InChI=1S/C23H17FN4O/c24-18-9-10-20-17(11-18)13-25-21-22(26-14-27-23(21)29-20)28-19-8-4-7-16(12-19)15-5-2-1-3-6-15/h1-12,14,25H,13H2,(H,26,27,28)