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

Systemtic Name: 3-[1-(2,5-dimethylphenyl)ethylamino]azepan-2-one Openeye Name: 3-[1-(2,5-dimethylphenyl)ethylamino]azepan-2-one CAS Name: 3-[1-(2,5-dimethylphenyl)ethylamino]-2-azepanone IUPAC Name: 3-[1-(2,5-dimethylphenyl)ethylamino]azepan-2-one Traditional Name: 3-[1-(2,5-dimethylphenyl)ethylamino]azepan-2-one Formula: C16H24N2O MolecularWeight: 260.37456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C)NC2CCCCNC2=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C)NC2CCCCNC2=O

InChI

InChI=1S/C16H24N2O/c1-11-7-8-12(2)14(10-11)13(3)18-15-6-4-5-9-17-16(15)19/h7-8,10,13,15,18H,4-6,9H2,1-3H3,(H,17,19)