(E)-3-(1,3-benzodioxol-5-yl)-1-[4-(6-propoxypyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(6-propoxypyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(6-propoxypyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(6-propoxy-3-pyridazinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(6-propoxypyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(6-propoxypyridazin-3-yl)piperazino]prop-2-en-1-one Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NN=C(C=C1)N2CCN(CC2)C(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCOC1=NN=C(C=C1)N2CCN(CC2)C(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N4O4/c1-2-13-27-20-7-6-19(22-23-20)24-9-11-25(12-10-24)21(26)8-4-16-3-5-17-18(14-16)29-15-28-17/h3-8,14H,2,9-13,15H2,1H3/b8-4+