N-(3-bromophenyl)-9-methoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine

Systemtic Name: N-(3-bromophenyl)-9-methoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine Openeye Name: N-(3-bromophenyl)-9-methoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine CAS Name: N-(3-bromophenyl)-9-methoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine IUPAC Name: N-(3-bromophenyl)-9-methoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine Traditional Name: (3-bromophenyl)-(9-methoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-yl)amine Formula: C18H15BrN4O2 MolecularWeight: 399.2413

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CNC3=C(N=CN=C3O2)NC4=CC(=CC=C4)Br)C=C1

Isomeric SMILES

COC1=CC2=C(CNC3=C(N=CN=C3O2)NC4=CC(=CC=C4)Br)C=C1

InChI

InChI=1S/C18H15BrN4O2/c1-24-14-6-5-11-9-20-16-17(23-13-4-2-3-12(19)7-13)21-10-22-18(16)25-15(11)8-14/h2-8,10,20H,9H2,1H3,(H,21,22,23)