1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-2-ethyl-butan-1-one

Systemtic Name: 1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-2-ethyl-butan-1-one Openeye Name: 1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-2-ethyl-butan-1-one CAS Name: 1-[4-[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]-1-piperazinyl]-2-ethyl-1-butanone IUPAC Name: 1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-2-ethylbutan-1-one Traditional Name: 1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazino]-2-ethyl-butan-1-one Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCN(CC1)C2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC(CC)C(=O)N1CCN(CC1)C2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H26N4O3/c1-3-15(4-2)21(26)25-11-9-24(10-12-25)20-8-6-17(22-23-20)16-5-7-18-19(13-16)28-14-27-18/h5-8,13,15H,3-4,9-12,14H2,1-2H3