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

Systemtic Name: 3-(3-methoxyphenyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile Openeye Name: 3-(3-methoxyphenyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile CAS Name: 3-(3-methoxyphenyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-pyrazolyl]propanenitrile IUPAC Name: 3-(3-methoxyphenyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile Traditional Name: 3-(3-methoxyphenyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propionitrile Formula: C19H16N6O MolecularWeight: 344.36994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N6O/c1-26-15-4-2-3-13(9-15)17(5-7-20)25-11-14(10-24-25)18-16-6-8-21-19(16)23-12-22-18/h2-4,6,8-12,17H,5H2,1H3,(H,21,22,23)