N-(phenylmethyl)pyrimido[4,5-b][1,4]benzoxazepin-4-amine

Systemtic Name: N-(phenylmethyl)pyrimido[4,5-b][1,4]benzoxazepin-4-amine Openeye Name: N-benzylpyrimido[4,5-b][1,4]benzoxazepin-4-amine CAS Name: N-(phenylmethyl)-4-pyrimido[4,5-b][1,4]benzoxazepinamine IUPAC Name: N-benzylpyrimido[4,5-b][1,4]benzoxazepin-4-amine Traditional Name: benzyl(pyrimido[4,5-b][1,4]benzoxazepin-4-yl)amine Formula: C18H14N4O MolecularWeight: 302.32996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C3C(=NC=N2)OC4=CC=CC=C4C=N3

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C3C(=NC=N2)OC4=CC=CC=C4C=N3

InChI

InChI=1S/C18H14N4O/c1-2-6-13(7-3-1)10-20-17-16-18(22-12-21-17)23-15-9-5-4-8-14(15)11-19-16/h1-9,11-12H,10H2,(H,20,21,22)