4-[1H-2,1,3-benzoxadiazol-3-ylmethyl(pyrimidin-5-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[1H-2,1,3-benzoxadiazol-3-ylmethyl(pyrimidin-5-yl)amino]benzenecarbonitrile Openeye Name: 4-[1H-2,1,3-benzoxadiazol-3-ylmethyl(pyrimidin-5-yl)amino]benzonitrile CAS Name: 4-[1H-2,1,3-benzoxadiazol-3-ylmethyl(5-pyrimidinyl)amino]benzonitrile IUPAC Name: 4-[1H-2,1,3-benzoxadiazol-3-ylmethyl(pyrimidin-5-yl)amino]benzonitrile Traditional Name: 4-[3H-benzofurazan-1-ylmethyl(5-pyrimidyl)amino]benzonitrile Formula: C18H14N6O MolecularWeight: 330.34336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NON2CN(C3=CC=C(C=C3)C#N)C4=CN=CN=C4

Isomeric SMILES

C1=CC=C2C(=C1)NON2CN(C3=CC=C(C=C3)C#N)C4=CN=CN=C4

InChI

InChI=1S/C18H14N6O/c19-9-14-5-7-15(8-6-14)23(16-10-20-12-21-11-16)13-24-18-4-2-1-3-17(18)22-25-24/h1-8,10-12,22H,13H2