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

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(2,6-dimethylphenoxy)methyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(2,6-dimethylphenoxy)methyl]oxazole-4-carbonitrile CAS Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(2,6-dimethylphenoxy)methyl]-4-oxazolecarbonitrile IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(2,6-dimethylphenoxy)methyl]-1,3-oxazole-4-carbonitrile Traditional Name: 2-[(2,6-dimethylphenoxy)methyl]-5-(piperonylamino)oxazole-4-carbonitrile Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4/c1-13-4-3-5-14(2)20(13)25-11-19-24-16(9-22)21(28-19)23-10-15-6-7-17-18(8-15)27-12-26-17/h3-8,23H,10-12H2,1-2H3