5-(1,3-benzodioxol-5-ylmethylamino)-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-isobutyl-oxazole-4-carbonitrile CAS Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-(2-methylpropyl)-4-oxazolecarbonitrile IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-isobutyl-5-(piperonylamino)oxazole-4-carbonitrile Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=C(O1)NCC2=CC3=C(C=C2)OCO3)C#N

Isomeric SMILES

CC(C)CC1=NC(=C(O1)NCC2=CC3=C(C=C2)OCO3)C#N

InChI

InChI=1S/C16H17N3O3/c1-10(2)5-15-19-12(7-17)16(22-15)18-8-11-3-4-13-14(6-11)21-9-20-13/h3-4,6,10,18H,5,8-9H2,1-2H3