2-(3,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-5-(3-pyridylmethylamino)oxazole-4-carbonitrile CAS Name: 2-(3,4-dimethoxyphenyl)-5-(3-pyridinylmethylamino)-4-oxazolecarbonitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-5-(3-pyridylmethylamino)oxazole-4-carbonitrile Formula: C18H16N4O3 MolecularWeight: 336.34464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=C(O2)NCC3=CN=CC=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C(O2)NCC3=CN=CC=C3)C#N)OC

InChI

InChI=1S/C18H16N4O3/c1-23-15-6-5-13(8-16(15)24-2)17-22-14(9-19)18(25-17)21-11-12-4-3-7-20-10-12/h3-8,10,21H,11H2,1-2H3