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

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(2-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(2-methylphenoxy)methyl]oxazole-4-carbonitrile CAS Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(2-methylphenoxy)methyl]-4-oxazolecarbonitrile IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(2-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile Traditional Name: 2-[(2-methylphenoxy)methyl]-5-(piperonylamino)oxazole-4-carbonitrile Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NC(=C(O2)NCC3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

CC1=CC=CC=C1OCC2=NC(=C(O2)NCC3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C20H17N3O4/c1-13-4-2-3-5-16(13)24-11-19-23-15(9-21)20(27-19)22-10-14-6-7-17-18(8-14)26-12-25-17/h2-8,22H,10-12H2,1H3