4-[1-(phenylmethyl)pyrrolo[2,3-b]pyridin-3-yl]octan-2-one

Systemtic Name: 4-[1-(phenylmethyl)pyrrolo[2,3-b]pyridin-3-yl]octan-2-one Openeye Name: 4-(1-benzylpyrrolo[2,3-b]pyridin-3-yl)octan-2-one CAS Name: 4-[1-(phenylmethyl)-3-pyrrolo[2,3-b]pyridinyl]-2-octanone IUPAC Name: 4-(1-benzylpyrrolo[2,3-b]pyridin-3-yl)octan-2-one Traditional Name: 4-(1-benzylpyrrolo[2,3-b]pyridin-3-yl)octan-2-one Formula: C22H26N2O MolecularWeight: 334.45464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(=O)C)C1=CN(C2=C1C=CC=N2)CC3=CC=CC=C3

Isomeric SMILES

CCCCC(CC(=O)C)C1=CN(C2=C1C=CC=N2)CC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O/c1-3-4-11-19(14-17(2)25)21-16-24(15-18-9-6-5-7-10-18)22-20(21)12-8-13-23-22/h5-10,12-13,16,19H,3-4,11,14-15H2,1-2H3