1-[3-(4-pentan-3-ylphenyl)-8-azabicyclo[3.2.1]octan-4-yl]propan-1-one

Systemtic Name: 1-[3-(4-pentan-3-ylphenyl)-8-azabicyclo[3.2.1]octan-4-yl]propan-1-one Openeye Name: 1-[3-[4-(1-ethylpropyl)phenyl]-8-azabicyclo[3.2.1]octan-4-yl]propan-1-one CAS Name: 1-[3-(4-pentan-3-ylphenyl)-8-azabicyclo[3.2.1]octan-4-yl]-1-propanone IUPAC Name: 1-[3-(4-pentan-3-ylphenyl)-8-azabicyclo[3.2.1]octan-4-yl]propan-1-one Traditional Name: 1-[3-[4-(1-ethylpropyl)phenyl]-8-azabicyclo[3.2.1]octan-4-yl]propan-1-one Formula: C21H31NO MolecularWeight: 313.47694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=C(C=C1)C2CC3CCC(C2C(=O)CC)N3

Isomeric SMILES

CCC(CC)C1=CC=C(C=C1)C2CC3CCC(C2C(=O)CC)N3

InChI

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