3-(1,3-benzodioxol-5-ylmethylamino)-5-(4-methoxyphenyl)cyclohex-2-en-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylamino)-5-(4-methoxyphenyl)cyclohex-2-en-1-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethylamino)-5-(4-methoxyphenyl)cyclohex-2-en-1-one CAS Name: 3-(1,3-benzodioxol-5-ylmethylamino)-5-(4-methoxyphenyl)-1-cyclohex-2-enone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylamino)-5-(4-methoxyphenyl)cyclohex-2-en-1-one Traditional Name: 5-(4-methoxyphenyl)-3-(piperonylamino)cyclohex-2-en-1-one Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=CC(=O)C2)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=CC(=O)C2)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21NO4/c1-24-19-5-3-15(4-6-19)16-9-17(11-18(23)10-16)22-12-14-2-7-20-21(8-14)26-13-25-20/h2-8,11,16,22H,9-10,12-13H2,1H3