4-methyl-1-[2-(phenylmethyl)pyridin-4-yl]pentan-1-one

Systemtic Name: 4-methyl-1-[2-(phenylmethyl)pyridin-4-yl]pentan-1-one Openeye Name: 1-(2-benzyl-4-pyridyl)-4-methyl-pentan-1-one CAS Name: 4-methyl-1-[2-(phenylmethyl)-4-pyridinyl]-1-pentanone IUPAC Name: 1-(2-benzylpyridin-4-yl)-4-methylpentan-1-one Traditional Name: 1-(2-benzyl-4-pyridyl)-4-methyl-pentan-1-one Formula: C18H21NO MolecularWeight: 267.36544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)C1=CC(=NC=C1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)CCC(=O)C1=CC(=NC=C1)CC2=CC=CC=C2

InChI

InChI=1S/C18H21NO/c1-14(2)8-9-18(20)16-10-11-19-17(13-16)12-15-6-4-3-5-7-15/h3-7,10-11,13-14H,8-9,12H2,1-2H3