1-[2-(aminomethyl)-5-tert-butyl-cyclohexyl]azepane-2,7-dione

Systemtic Name: 1-[2-(aminomethyl)-5-tert-butyl-cyclohexyl]azepane-2,7-dione Openeye Name: 1-[2-(aminomethyl)-5-tert-butyl-cyclohexyl]azepane-2,7-dione CAS Name: 1-[2-(aminomethyl)-5-tert-butylcyclohexyl]azepane-2,7-dione IUPAC Name: 1-[2-(aminomethyl)-5-tert-butylcyclohexyl]azepane-2,7-dione Traditional Name: 1-[2-(aminomethyl)-5-tert-butyl-cyclohexyl]azepane-2,7-quinone Formula: C17H30N2O2 MolecularWeight: 294.4323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(C(C1)N2C(=O)CCCCC2=O)CN

Isomeric SMILES

CC(C)(C)C1CCC(C(C1)N2C(=O)CCCCC2=O)CN

InChI

InChI=1S/C17H30N2O2/c1-17(2,3)13-9-8-12(11-18)14(10-13)19-15(20)6-4-5-7-16(19)21/h12-14H,4-11,18H2,1-3H3