3-(4-azabicyclo[4.2.1]nonan-4-yl)-1-(4-butylphenyl)propan-1-one

Systemtic Name: 3-(4-azabicyclo[4.2.1]nonan-4-yl)-1-(4-butylphenyl)propan-1-one Openeye Name: 3-(4-azabicyclo[4.2.1]nonan-4-yl)-1-(4-butylphenyl)propan-1-one CAS Name: 3-(4-azabicyclo[4.2.1]nonan-4-yl)-1-(4-butylphenyl)-1-propanone IUPAC Name: 3-(4-azabicyclo[4.2.1]nonan-4-yl)-1-(4-butylphenyl)propan-1-one Traditional Name: 3-(4-azabicyclo[4.2.1]nonan-4-yl)-1-(4-butylphenyl)propan-1-one Formula: C21H31NO MolecularWeight: 313.47694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CCN2CCC3CCC(C3)C2

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CCN2CCC3CCC(C3)C2

InChI

InChI=1S/C21H31NO/c1-2-3-4-17-7-9-20(10-8-17)21(23)12-14-22-13-11-18-5-6-19(15-18)16-22/h7-10,18-19H,2-6,11-16H2,1H3