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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3/c1-21(2,3)13-20(26)25-10-8-24(9-11-25)19-7-5-16(22-23-19)15-4-6-17-18(12-15)28-14-27-17/h4-7,12H,8-11,13-14H2,1-3H3