3-[1-(2,4,5-trimethylphenyl)ethylamino]azepan-2-one

Systemtic Name: 3-[1-(2,4,5-trimethylphenyl)ethylamino]azepan-2-one Openeye Name: 3-[1-(2,4,5-trimethylphenyl)ethylamino]azepan-2-one CAS Name: 3-[1-(2,4,5-trimethylphenyl)ethylamino]-2-azepanone IUPAC Name: 3-[1-(2,4,5-trimethylphenyl)ethylamino]azepan-2-one Traditional Name: 3-[1-(2,4,5-trimethylphenyl)ethylamino]azepan-2-one Formula: C17H26N2O MolecularWeight: 274.40114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)C(C)NC2CCCCNC2=O)C

Isomeric SMILES

CC1=CC(=C(C=C1C)C(C)NC2CCCCNC2=O)C

InChI

InChI=1S/C17H26N2O/c1-11-9-13(3)15(10-12(11)2)14(4)19-16-7-5-6-8-18-17(16)20/h9-10,14,16,19H,5-8H2,1-4H3,(H,18,20)