3-[3-(3-methyl-5-oxidanyl-phenyl)-4-pyrimidin-4-yl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3-(3-methyl-5-oxidanyl-phenyl)-4-pyrimidin-4-yl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[3-(3-hydroxy-5-methyl-phenyl)-4-pyrimidin-4-yl-pyrazol-1-yl]propanenitrile CAS Name: 3-[3-(3-hydroxy-5-methylphenyl)-4-(4-pyrimidinyl)-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]propanenitrile Traditional Name: 3-[3-(3-hydroxy-5-methyl-phenyl)-4-(4-pyrimidyl)pyrazol-1-yl]propionitrile Formula: C17H15N5O MolecularWeight: 305.3339

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=NN(C=C2C3=NC=NC=C3)CCC#N)O

Isomeric SMILES

CC1=CC(=CC(=C1)C2=NN(C=C2C3=NC=NC=C3)CCC#N)O

InChI

InChI=1S/C17H15N5O/c1-12-7-13(9-14(23)8-12)17-15(16-3-5-19-11-20-16)10-22(21-17)6-2-4-18/h3,5,7-11,23H,2,6H2,1H3