3-[4-methyl-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethyl]piperidin-1-yl]-3-oxidanylidene-propanenitrile

Systemtic Name: 3-[4-methyl-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethyl]piperidin-1-yl]-3-oxidanylidene-propanenitrile Openeye Name: 3-[4-methyl-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethyl]-1-piperidyl]-3-oxo-propanenitrile CAS Name: 3-[4-methyl-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethyl]-1-piperidinyl]-3-oxopropanenitrile IUPAC Name: 3-[4-methyl-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethyl]piperidin-1-yl]-3-oxopropanenitrile Traditional Name: 3-keto-3-[4-methyl-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethyl]piperidino]propionitrile Formula: C17H21N5O MolecularWeight: 311.38154

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1C(C)C2=C3C=CNC3=NC=N2)C(=O)CC#N

Isomeric SMILES

CC1CCN(CC1C(C)C2=C3C=CNC3=NC=N2)C(=O)CC#N

InChI

InChI=1S/C17H21N5O/c1-11-5-8-22(15(23)3-6-18)9-14(11)12(2)16-13-4-7-19-17(13)21-10-20-16/h4,7,10-12,14H,3,5,8-9H2,1-2H3,(H,19,20,21)