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

Systemtic Name: 2-[5-chloranyl-2-methyl-7-(2-oxidanyl-2-phenyl-ethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanenitrile Openeye Name: 2-[5-chloro-7-(2-hydroxy-2-phenyl-ethyl)-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]acetonitrile CAS Name: 2-[5-chloro-7-(2-hydroxy-2-phenylethyl)-2-methyl-3-pyrrolo[2,3-b]pyridinyl]acetonitrile IUPAC Name: 2-[5-chloro-7-(2-hydroxy-2-phenylethyl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetonitrile Traditional Name: 2-[5-chloro-7-(2-hydroxy-2-phenyl-ethyl)-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]acetonitrile Formula: C18H16ClN3O MolecularWeight: 325.79214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O/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/h2-6,9-10,17,23H,7,11H2,1H3