1-[2-(2,5-dimethoxyphenyl)-1,3-benzoxazol-4-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine

Systemtic Name: 1-[2-(2,5-dimethoxyphenyl)-1,3-benzoxazol-4-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine Openeye Name: 1-[2-(2,5-dimethoxyphenyl)-1,3-benzoxazol-4-yl]-N,N-bis(2-pyridylmethyl)methanamine CAS Name: 1-[2-(2,5-dimethoxyphenyl)-1,3-benzoxazol-4-yl]-N,N-bis(2-pyridinylmethyl)methanamine IUPAC Name: 1-[2-(2,5-dimethoxyphenyl)-1,3-benzoxazol-4-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine Traditional Name: [2-(2,5-dimethoxyphenyl)-1,3-benzoxazol-4-yl]methyl-bis(2-pyridylmethyl)amine Formula: C28H26N4O3 MolecularWeight: 466.53104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=NC3=C(C=CC=C3O2)CN(CC4=CC=CC=N4)CC5=CC=CC=N5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=NC3=C(C=CC=C3O2)CN(CC4=CC=CC=N4)CC5=CC=CC=N5

InChI

InChI=1S/C28H26N4O3/c1-33-23-12-13-25(34-2)24(16-23)28-31-27-20(8-7-11-26(27)35-28)17-32(18-21-9-3-5-14-29-21)19-22-10-4-6-15-30-22/h3-16H,17-19H2,1-2H3