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

Systemtic Name: (E,4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylpiperazin-1-yl)oct-2-en-1-one Openeye Name: (E,4E)-4-(1,3-benzodioxol-5-ylmethylene)-1-(4-methylpiperazin-1-yl)oct-2-en-1-one CAS Name: (E,4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methyl-1-piperazinyl)-2-octen-1-one IUPAC Name: (E,4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylpiperazin-1-yl)oct-2-en-1-one Traditional Name: (2E,4E)-5-(1,3-benzodioxol-5-yl)-4-butyl-1-(4-methylpiperazino)penta-2,4-dien-1-one Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3/c1-3-4-5-17(7-9-21(24)23-12-10-22(2)11-13-23)14-18-6-8-19-20(15-18)26-16-25-19/h6-9,14-15H,3-5,10-13,16H2,1-2H3/b9-7+,17-14+