[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-(4-butoxyphenyl)methanone

Systemtic Name: [4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-(4-butoxyphenyl)methanone Openeye Name: [4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-(4-butoxyphenyl)methanone CAS Name: [4-[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]-1-piperazinyl]-(4-butoxyphenyl)methanone IUPAC Name: [4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-(4-butoxyphenyl)methanone Traditional Name: [4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazino]-(4-butoxyphenyl)methanone Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H28N4O4/c1-2-3-16-32-21-7-4-19(5-8-21)26(31)30-14-12-29(13-15-30)25-11-9-22(27-28-25)20-6-10-23-24(17-20)34-18-33-23/h4-11,17H,2-3,12-16,18H2,1H3