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

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-pentan-3-yl-1,3-oxazole-4-carbonitrile Openeye Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-(1-ethylpropyl)oxazole-4-carbonitrile CAS Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-pentan-3-yl-4-oxazolecarbonitrile IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-pentan-3-yl-1,3-oxazole-4-carbonitrile Traditional Name: 2-(1-ethylpropyl)-5-(piperonylamino)oxazole-4-carbonitrile Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NC(=C(O1)NCC2=CC3=C(C=C2)OCO3)C#N

Isomeric SMILES

CCC(CC)C1=NC(=C(O1)NCC2=CC3=C(C=C2)OCO3)C#N

InChI

InChI=1S/C17H19N3O3/c1-3-12(4-2)16-20-13(8-18)17(23-16)19-9-11-5-6-14-15(7-11)22-10-21-14/h5-7,12,19H,3-4,9-10H2,1-2H3