3-cyclohexyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile

Systemtic Name: 3-cyclohexyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile Openeye Name: 3-cyclohexyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile CAS Name: 3-cyclohexyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-pyrazolyl]propanenitrile IUPAC Name: 3-cyclohexyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile Traditional Name: 3-cyclohexyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propionitrile Formula: C18H20N6 MolecularWeight: 320.3916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3

Isomeric SMILES

C1CCC(CC1)C(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3

InChI

InChI=1S/C18H20N6/c19-8-6-16(13-4-2-1-3-5-13)24-11-14(10-23-24)17-15-7-9-20-18(15)22-12-21-17/h7,9-13,16H,1-6H2,(H,20,21,22)