4-[5-[1-(2-oxidanylethanoyl)piperidin-4-yl]-4-pyrimidin-4-yl-1H-pyrazol-3-yl]benzenecarbonitrile

Systemtic Name: 4-[5-[1-(2-oxidanylethanoyl)piperidin-4-yl]-4-pyrimidin-4-yl-1H-pyrazol-3-yl]benzenecarbonitrile Openeye Name: 4-[5-[1-(2-hydroxyacetyl)-4-piperidyl]-4-pyrimidin-4-yl-1H-pyrazol-3-yl]benzonitrile CAS Name: 4-[5-[1-(2-hydroxy-1-oxoethyl)-4-piperidinyl]-4-(4-pyrimidinyl)-1H-pyrazol-3-yl]benzonitrile IUPAC Name: 4-[5-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-pyrimidin-4-yl-1H-pyrazol-3-yl]benzonitrile Traditional Name: 4-[5-(1-glycoloyl-4-piperidyl)-4-(4-pyrimidyl)-1H-pyrazol-3-yl]benzonitrile Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=C(C(=NN2)C3=CC=C(C=C3)C#N)C4=NC=NC=C4)C(=O)CO

Isomeric SMILES

C1CN(CCC1C2=C(C(=NN2)C3=CC=C(C=C3)C#N)C4=NC=NC=C4)C(=O)CO

InChI

InChI=1S/C21H20N6O2/c22-11-14-1-3-15(4-2-14)20-19(17-5-8-23-13-24-17)21(26-25-20)16-6-9-27(10-7-16)18(29)12-28/h1-5,8,13,16,28H,6-7,9-10,12H2,(H,25,26)