2-(azepan-1-yl)-1-(3,4-dimethylphenyl)propan-1-one

Systemtic Name: 2-(azepan-1-yl)-1-(3,4-dimethylphenyl)propan-1-one Openeye Name: 2-(azepan-1-yl)-1-(3,4-dimethylphenyl)propan-1-one CAS Name: 2-(1-azepanyl)-1-(3,4-dimethylphenyl)-1-propanone IUPAC Name: 2-(azepan-1-yl)-1-(3,4-dimethylphenyl)propan-1-one Traditional Name: 2-(azepan-1-yl)-1-(3,4-dimethylphenyl)propan-1-one Formula: C17H25NO MolecularWeight: 259.3865

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)N2CCCCCC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C)N2CCCCCC2)C

InChI

InChI=1S/C17H25NO/c1-13-8-9-16(12-14(13)2)17(19)15(3)18-10-6-4-5-7-11-18/h8-9,12,15H,4-7,10-11H2,1-3H3