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

Systemtic Name: 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]azepan-2-one Openeye Name: 3-[1-(2,5-dimethyl-3-thienyl)ethylamino]azepan-2-one CAS Name: 3-[1-(2,5-dimethyl-3-thiophenyl)ethylamino]-2-azepanone IUPAC Name: 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]azepan-2-one Traditional Name: 3-[1-(2,5-dimethyl-3-thienyl)ethylamino]azepan-2-one Formula: C14H22N2OS MolecularWeight: 266.40228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(C)NC2CCCCNC2=O

Isomeric SMILES

CC1=CC(=C(S1)C)C(C)NC2CCCCNC2=O

InChI

InChI=1S/C14H22N2OS/c1-9-8-12(11(3)18-9)10(2)16-13-6-4-5-7-15-14(13)17/h8,10,13,16H,4-7H2,1-3H3,(H,15,17)