2-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-4-tert-butyl-cyclohexan-1-one

Systemtic Name: 2-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-4-tert-butyl-cyclohexan-1-one Openeye Name: 2-[(1,3-benzodioxol-5-ylmethylamino)methylene]-4-tert-butyl-cyclohexanone CAS Name: 2-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-4-tert-butyl-1-cyclohexanone IUPAC Name: 2-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-4-tert-butylcyclohexan-1-one Traditional Name: 4-tert-butyl-2-[(piperonylamino)methylene]cyclohexanone Formula: C19H25NO3 MolecularWeight: 315.4067

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(=O)C(=CNCC2=CC3=C(C=C2)OCO3)C1

Isomeric SMILES

CC(C)(C)C1CCC(=O)C(=CNCC2=CC3=C(C=C2)OCO3)C1

InChI

InChI=1S/C19H25NO3/c1-19(2,3)15-5-6-16(21)14(9-15)11-20-10-13-4-7-17-18(8-13)23-12-22-17/h4,7-8,11,15,20H,5-6,9-10,12H2,1-3H3