2-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-1H-pyridazine-3,6-dione

Systemtic Name: 2-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-1H-pyridazine-3,6-dione Openeye Name: 2-[2-(aminomethyl)-5-(1,1-dimethylpropyl)cyclohexyl]-1H-pyridazine-3,6-dione CAS Name: 2-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-1H-pyridazine-3,6-dione IUPAC Name: 2-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-1H-pyridazine-3,6-dione Traditional Name: 2-[2-(aminomethyl)-5-tert-amyl-cyclohexyl]-1H-pyridazine-3,6-quinone Formula: C16H27N3O2 MolecularWeight: 293.40448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(C(C1)N2C(=O)C=CC(=O)N2)CN

Isomeric SMILES

CCC(C)(C)C1CCC(C(C1)N2C(=O)C=CC(=O)N2)CN

InChI

InChI=1S/C16H27N3O2/c1-4-16(2,3)12-6-5-11(10-17)13(9-12)19-15(21)8-7-14(20)18-19/h7-8,11-13H,4-6,9-10,17H2,1-3H3,(H,18,20)