5-(1,3-benzodioxol-5-ylmethylamino)-2-[(2,4,6-trimethylphenoxy)methyl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(2,4,6-trimethylphenoxy)methyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(2,4,6-trimethylphenoxy)methyl]oxazole-4-carbonitrile CAS Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(2,4,6-trimethylphenoxy)methyl]-4-oxazolecarbonitrile IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(2,4,6-trimethylphenoxy)methyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(piperonylamino)-2-[(2,4,6-trimethylphenoxy)methyl]oxazole-4-carbonitrile Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OCC2=NC(=C(O2)NCC3=CC4=C(C=C3)OCO4)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OCC2=NC(=C(O2)NCC3=CC4=C(C=C3)OCO4)C#N)C

InChI

InChI=1S/C22H21N3O4/c1-13-6-14(2)21(15(3)7-13)26-11-20-25-17(9-23)22(29-20)24-10-16-4-5-18-19(8-16)28-12-27-18/h4-8,24H,10-12H2,1-3H3