2-(azepan-1-yl)-1-(3,4-dimethylphenyl)ethanone

Systemtic Name: 2-(azepan-1-yl)-1-(3,4-dimethylphenyl)ethanone Openeye Name: 2-(azepan-1-yl)-1-(3,4-dimethylphenyl)ethanone CAS Name: 2-(1-azepanyl)-1-(3,4-dimethylphenyl)ethanone IUPAC Name: 2-(azepan-1-yl)-1-(3,4-dimethylphenyl)ethanone Traditional Name: 2-(azepan-1-yl)-1-(3,4-dimethylphenyl)ethanone Formula: C16H23NO MolecularWeight: 245.35992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CN2CCCCCC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CN2CCCCCC2)C

InChI

InChI=1S/C16H23NO/c1-13-7-8-15(11-14(13)2)16(18)12-17-9-5-3-4-6-10-17/h7-8,11H,3-6,9-10,12H2,1-2H3