3-(5-bromanyl-2-methoxy-phenyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile

Systemtic Name: 3-(5-bromanyl-2-methoxy-phenyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile Openeye Name: 3-(5-bromo-2-methoxy-phenyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile CAS Name: 3-(5-bromo-2-methoxyphenyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-pyrazolyl]propanenitrile IUPAC Name: 3-(5-bromo-2-methoxyphenyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile Traditional Name: 3-(5-bromo-2-methoxy-phenyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propionitrile Formula: C19H15BrN6O MolecularWeight: 423.266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3

InChI

InChI=1S/C19H15BrN6O/c1-27-17-3-2-13(20)8-15(17)16(4-6-21)26-10-12(9-25-26)18-14-5-7-22-19(14)24-11-23-18/h2-3,5,7-11,16H,4H2,1H3,(H,22,23,24)