2-(phenylmethyl)-8-(pyridin-4-ylmethyl)cyclooctan-1-one

Systemtic Name: 2-(phenylmethyl)-8-(pyridin-4-ylmethyl)cyclooctan-1-one Openeye Name: 2-benzyl-8-(4-pyridylmethyl)cyclooctanone CAS Name: 2-(phenylmethyl)-8-(pyridin-4-ylmethyl)-1-cyclooctanone IUPAC Name: 2-benzyl-8-(pyridin-4-ylmethyl)cyclooctan-1-one Traditional Name: 2-benzyl-8-(4-pyridylmethyl)cyclooctanone Formula: C21H25NO MolecularWeight: 307.4293

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)C(CC1)CC2=CC=NC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CCC(C(=O)C(CC1)CC2=CC=NC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25NO/c23-21-19(15-17-7-3-1-4-8-17)9-5-2-6-10-20(21)16-18-11-13-22-14-12-18/h1,3-4,7-8,11-14,19-20H,2,5-6,9-10,15-16H2