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

Systemtic Name: N-(3-bromophenyl)-8-fluoranyl-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine Openeye Name: N-(3-bromophenyl)-8-fluoro-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine CAS Name: N-(3-bromophenyl)-8-fluoro-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine IUPAC Name: N-(3-bromophenyl)-8-fluoro-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine Traditional Name: (3-bromophenyl)-(8-fluoro-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-yl)amine Formula: C17H12BrFN4O MolecularWeight: 387.205783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrFN4O/c18-11-2-1-3-13(7-11)23-16-15-17(22-9-21-16)24-14-5-4-12(19)6-10(14)8-20-15/h1-7,9,20H,8H2,(H,21,22,23)