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

Systemtic Name: 8-methoxy-N-phenyl-pyrimido[4,5-b][1,4]benzoxazepin-4-amine Openeye Name: 8-methoxy-N-phenyl-pyrimido[4,5-b][1,4]benzoxazepin-4-amine CAS Name: 8-methoxy-N-phenyl-4-pyrimido[4,5-b][1,4]benzoxazepinamine IUPAC Name: 8-methoxy-N-phenylpyrimido[4,5-b][1,4]benzoxazepin-4-amine Traditional Name: (8-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)OC3=NC=NC(=C3N=C2)NC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)OC3=NC=NC(=C3N=C2)NC4=CC=CC=C4

InChI

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