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

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-(4-tert-butylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-(4-tert-butylphenyl)oxazole-4-carbonitrile CAS Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-(4-tert-butylphenyl)-4-oxazolecarbonitrile IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-(4-tert-butylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-(4-tert-butylphenyl)-5-(piperonylamino)oxazole-4-carbonitrile Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=C(O2)NCC3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=C(O2)NCC3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C22H21N3O3/c1-22(2,3)16-7-5-15(6-8-16)20-25-17(11-23)21(28-20)24-12-14-4-9-18-19(10-14)27-13-26-18/h4-10,24H,12-13H2,1-3H3