3-(2,5-dimethylpyrrol-1-yl)azepan-2-one

Systemtic Name: 3-(2,5-dimethylpyrrol-1-yl)azepan-2-one Openeye Name: 3-(2,5-dimethylpyrrol-1-yl)azepan-2-one CAS Name: 3-(2,5-dimethyl-1-pyrrolyl)-2-azepanone IUPAC Name: 3-(2,5-dimethylpyrrol-1-yl)azepan-2-one Traditional Name: 3-(2,5-dimethylpyrrol-1-yl)azepan-2-one Formula: C12H18N2O MolecularWeight: 206.28412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2CCCCNC2=O)C

Isomeric SMILES

CC1=CC=C(N1C2CCCCNC2=O)C

InChI

InChI=1S/C12H18N2O/c1-9-6-7-10(2)14(9)11-5-3-4-8-13-12(11)15/h6-7,11H,3-5,8H2,1-2H3,(H,13,15)