5-(1,3-benzodioxol-5-ylmethylamino)-2-[(3-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(3-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(3-methoxyphenoxy)methyl]oxazole-4-carbonitrile CAS Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(3-methoxyphenoxy)methyl]-4-oxazolecarbonitrile IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(3-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile Traditional Name: 2-[(3-methoxyphenoxy)methyl]-5-(piperonylamino)oxazole-4-carbonitrile Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC2=NC(=C(O2)NCC3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

COC1=CC(=CC=C1)OCC2=NC(=C(O2)NCC3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C20H17N3O5/c1-24-14-3-2-4-15(8-14)25-11-19-23-16(9-21)20(28-19)22-10-13-5-6-17-18(7-13)27-12-26-17/h2-8,22H,10-12H2,1H3