8-bromanyl-N-(3-chloranyl-4-fluoranyl-phenyl)pyrimido[4,5-b][1,4]benzoxazepin-4-amine

Systemtic Name: 8-bromanyl-N-(3-chloranyl-4-fluoranyl-phenyl)pyrimido[4,5-b][1,4]benzoxazepin-4-amine Openeye Name: 8-bromo-N-(3-chloro-4-fluoro-phenyl)pyrimido[4,5-b][1,4]benzoxazepin-4-amine CAS Name: 8-bromo-N-(3-chloro-4-fluorophenyl)-4-pyrimido[4,5-b][1,4]benzoxazepinamine IUPAC Name: 8-bromo-N-(3-chloro-4-fluorophenyl)pyrimido[4,5-b][1,4]benzoxazepin-4-amine Traditional Name: (8-bromopyrimido[4,5-b][1,4]benzoxazepin-4-yl)-(3-chloro-4-fluoro-phenyl)amine Formula: C17H9BrClFN4O MolecularWeight: 419.634963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C3C(=NC=N2)OC4=C(C=C(C=C4)Br)C=N3)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC2=C3C(=NC=N2)OC4=C(C=C(C=C4)Br)C=N3)Cl)F

InChI

InChI=1S/C17H9BrClFN4O/c18-10-1-4-14-9(5-10)7-21-15-16(22-8-23-17(15)25-14)24-11-2-3-13(20)12(19)6-11/h1-8H,(H,22,23,24)