(E,4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-oxidanylpiperazin-1-yl)oct-2-en-1-one

Systemtic Name: (E,4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-oxidanylpiperazin-1-yl)oct-2-en-1-one Openeye Name: (E,4E)-4-(1,3-benzodioxol-5-ylmethylene)-1-(4-hydroxypiperazin-1-yl)oct-2-en-1-one CAS Name: (E,4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-hydroxy-1-piperazinyl)-2-octen-1-one IUPAC Name: (E,4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-hydroxypiperazin-1-yl)oct-2-en-1-one Traditional Name: (2E,4E)-5-(1,3-benzodioxol-5-yl)-4-butyl-1-(4-hydroxypiperazino)penta-2,4-dien-1-one Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4/c1-2-3-4-16(6-8-20(23)21-9-11-22(24)12-10-21)13-17-5-7-18-19(14-17)26-15-25-18/h5-8,13-14,24H,2-4,9-12,15H2,1H3/b8-6+,16-13+