9-methoxy-N-phenyl-pyrimido[4,5-b][1,4]benzoxazepin-4-amine

Systemtic Name: 9-methoxy-N-phenyl-pyrimido[4,5-b][1,4]benzoxazepin-4-amine Openeye Name: 9-methoxy-N-phenyl-pyrimido[4,5-b][1,4]benzoxazepin-4-amine CAS Name: 9-methoxy-N-phenyl-4-pyrimido[4,5-b][1,4]benzoxazepinamine IUPAC Name: 9-methoxy-N-phenylpyrimido[4,5-b][1,4]benzoxazepin-4-amine Traditional Name: (9-methoxypyrimido[4,5-b][1,4]benzoxazepin-4-yl)-phenyl-amine Formula: C18H14N4O2 MolecularWeight: 318.32936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=NC3=C(N=CN=C3O2)NC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C=NC3=C(N=CN=C3O2)NC4=CC=CC=C4

InChI

InChI=1S/C18H14N4O2/c1-23-14-8-7-12-10-19-16-17(22-13-5-3-2-4-6-13)20-11-21-18(16)24-15(12)9-14/h2-11H,1H3,(H,20,21,22)