3-(1,3-benzodioxol-5-ylmethylamino)-1-phenyl-but-2-en-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylamino)-1-phenyl-but-2-en-1-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethylamino)-1-phenyl-but-2-en-1-one CAS Name: 3-(1,3-benzodioxol-5-ylmethylamino)-1-phenyl-2-buten-1-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylamino)-1-phenylbut-2-en-1-one Traditional Name: 1-phenyl-3-(piperonylamino)but-2-en-1-one Formula: C18H17NO3 MolecularWeight: 295.33248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C1=CC=CC=C1)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(=CC(=O)C1=CC=CC=C1)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H17NO3/c1-13(9-16(20)15-5-3-2-4-6-15)19-11-14-7-8-17-18(10-14)22-12-21-17/h2-10,19H,11-12H2,1H3