3,5,5-trimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)hexan-1-one

Systemtic Name: 3,5,5-trimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)hexan-1-one Openeye Name: 3,5,5-trimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)hexan-1-one CAS Name: 3,5,5-trimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1-hexanone IUPAC Name: 3,5,5-trimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)hexan-1-one Traditional Name: 3,5,5-trimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)hexan-1-one Formula: C16H22N2O MolecularWeight: 258.35868

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CNC2=C1C=CC=N2)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)C1=CNC2=C1C=CC=N2)CC(C)(C)C

InChI

InChI=1S/C16H22N2O/c1-11(9-16(2,3)4)8-14(19)13-10-18-15-12(13)6-5-7-17-15/h5-7,10-11H,8-9H2,1-4H3,(H,17,18)