2-(5-chloranyl-2-methyl-7-phenacyl-pyrrolo[2,3-b]pyridin-3-yl)ethanenitrile

Systemtic Name: 2-(5-chloranyl-2-methyl-7-phenacyl-pyrrolo[2,3-b]pyridin-3-yl)ethanenitrile Openeye Name: 2-(5-chloro-2-methyl-7-phenacyl-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile CAS Name: 2-(5-chloro-2-methyl-7-phenacyl-3-pyrrolo[2,3-b]pyridinyl)acetonitrile IUPAC Name: 2-(5-chloro-2-methyl-7-phenacylpyrrolo[2,3-b]pyridin-3-yl)acetonitrile Traditional Name: 2-(5-chloro-2-methyl-7-phenacyl-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile Formula: C18H14ClN3O MolecularWeight: 323.77626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=CN(C2=N1)CC(=O)C3=CC=CC=C3)Cl)CC#N

Isomeric SMILES

CC1=C(C2=CC(=CN(C2=N1)CC(=O)C3=CC=CC=C3)Cl)CC#N

InChI

InChI=1S/C18H14ClN3O/c1-12-15(7-8-20)16-9-14(19)10-22(18(16)21-12)11-17(23)13-5-3-2-4-6-13/h2-6,9-10H,7,11H2,1H3