3-(pyridin-4-ylmethyl)-2,1-benzoxazole

Systemtic Name: 3-(pyridin-4-ylmethyl)-2,1-benzoxazole Openeye Name: 3-(4-pyridylmethyl)-2,1-benzoxazole CAS Name: 3-(pyridin-4-ylmethyl)-2,1-benzoxazole IUPAC Name: 3-(pyridin-4-ylmethyl)-2,1-benzoxazole Traditional Name: 3-(4-pyridylmethyl)anthranil Formula: C13H10N2O MolecularWeight: 210.2313

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(ON=C2C=C1)CC3=CC=NC=C3

Isomeric SMILES

C1=CC2=C(ON=C2C=C1)CC3=CC=NC=C3

InChI

InChI=1S/C13H10N2O/c1-2-4-12-11(3-1)13(16-15-12)9-10-5-7-14-8-6-10/h1-8H,9H2