(E,4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylpiperazin-1-yl)hex-2-en-1-one

Systemtic Name: (E,4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylpiperazin-1-yl)hex-2-en-1-one Openeye Name: (E,4E)-4-(1,3-benzodioxol-5-ylmethylene)-1-(4-methylpiperazin-1-yl)hex-2-en-1-one CAS Name: (E,4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methyl-1-piperazinyl)-2-hexen-1-one IUPAC Name: (E,4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylpiperazin-1-yl)hex-2-en-1-one Traditional Name: (2E,4E)-5-(1,3-benzodioxol-5-yl)-4-ethyl-1-(4-methylpiperazino)penta-2,4-dien-1-one Formula: C19H24N2O3 MolecularWeight: 328.40546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=CC2=C(C=C1)OCO2)C=CC(=O)N3CCN(CC3)C

Isomeric SMILES

CC/C(=C\C1=CC2=C(C=C1)OCO2)/C=C/C(=O)N3CCN(CC3)C

InChI

InChI=1S/C19H24N2O3/c1-3-15(5-7-19(22)21-10-8-20(2)9-11-21)12-16-4-6-17-18(13-16)24-14-23-17/h4-7,12-13H,3,8-11,14H2,1-2H3/b7-5+,15-12+