5-isocyano-2-(piperazin-1-ylmethyl)-1,3-benzoxazole

Systemtic Name: 5-isocyano-2-(piperazin-1-ylmethyl)-1,3-benzoxazole Openeye Name: 5-isocyano-2-(piperazin-1-ylmethyl)-1,3-benzoxazole CAS Name: 5-isocyano-2-(1-piperazinylmethyl)-1,3-benzoxazole IUPAC Name: 5-isocyano-2-(piperazin-1-ylmethyl)-1,3-benzoxazole Traditional Name: 5-isocyano-2-(piperazinomethyl)-1,3-benzoxazole Formula: C13H14N4O MolecularWeight: 242.27646

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC2=C(C=C1)OC(=N2)CN3CCNCC3

Isomeric SMILES

[C-]#[N+]C1=CC2=C(C=C1)OC(=N2)CN3CCNCC3

InChI

InChI=1S/C13H14N4O/c1-14-10-2-3-12-11(8-10)16-13(18-12)9-17-6-4-15-5-7-17/h2-3,8,15H,4-7,9H2