2-[4-(pyridin-3-ylmethyl)-1,3-benzoxazol-2-yl]benzenecarbonitrile

Systemtic Name: 2-[4-(pyridin-3-ylmethyl)-1,3-benzoxazol-2-yl]benzenecarbonitrile Openeye Name: 2-[4-(3-pyridylmethyl)-1,3-benzoxazol-2-yl]benzonitrile CAS Name: 2-[4-(3-pyridinylmethyl)-1,3-benzoxazol-2-yl]benzonitrile IUPAC Name: 2-[4-(pyridin-3-ylmethyl)-1,3-benzoxazol-2-yl]benzonitrile Traditional Name: 2-[4-(3-pyridylmethyl)-1,3-benzoxazol-2-yl]benzonitrile Formula: C20H13N3O MolecularWeight: 311.33672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=NC3=C(C=CC=C3O2)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=NC3=C(C=CC=C3O2)CC4=CN=CC=C4

InChI

InChI=1S/C20H13N3O/c21-12-16-6-1-2-8-17(16)20-23-19-15(7-3-9-18(19)24-20)11-14-5-4-10-22-13-14/h1-10,13H,11H2