3-(azepan-1-yl)-1-(4-hexylphenyl)propan-1-one

Systemtic Name: 3-(azepan-1-yl)-1-(4-hexylphenyl)propan-1-one Openeye Name: 3-(azepan-1-yl)-1-(4-hexylphenyl)propan-1-one CAS Name: 3-(1-azepanyl)-1-(4-hexylphenyl)-1-propanone IUPAC Name: 3-(azepan-1-yl)-1-(4-hexylphenyl)propan-1-one Traditional Name: 3-(azepan-1-yl)-1-(4-hexylphenyl)propan-1-one Formula: C21H33NO MolecularWeight: 315.49282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)CCN2CCCCCC2

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)CCN2CCCCCC2

InChI

InChI=1S/C21H33NO/c1-2-3-4-7-10-19-11-13-20(14-12-19)21(23)15-18-22-16-8-5-6-9-17-22/h11-14H,2-10,15-18H2,1H3