3-[1,4-bis(2-methylpropyl)-3-propyl-cycloheptyl]-1H-pyridazin-6-one

Systemtic Name: 3-[1,4-bis(2-methylpropyl)-3-propyl-cycloheptyl]-1H-pyridazin-6-one Openeye Name: 3-(1,4-diisobutyl-3-propyl-cycloheptyl)-1H-pyridazin-6-one CAS Name: 3-[1,4-bis(2-methylpropyl)-3-propylcycloheptyl]-1H-pyridazin-6-one IUPAC Name: 3-[1,4-bis(2-methylpropyl)-3-propylcycloheptyl]-1H-pyridazin-6-one Traditional Name: 3-(1,4-diisobutyl-3-propyl-cycloheptyl)-1H-pyridazin-6-one Formula: C22H38N2O MolecularWeight: 346.54992

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC(CCCC1CC(C)C)(CC(C)C)C2=NNC(=O)C=C2

Isomeric SMILES

CCCC1CC(CCCC1CC(C)C)(CC(C)C)C2=NNC(=O)C=C2

InChI

InChI=1S/C22H38N2O/c1-6-8-19-15-22(14-17(4)5,20-10-11-21(25)24-23-20)12-7-9-18(19)13-16(2)3/h10-11,16-19H,6-9,12-15H2,1-5H3,(H,24,25)