4-[(3R,4R)-3-(1,3-benzodioxol-5-yl)-4-oxidanyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]benzenecarbonitrile

Systemtic Name: 4-[(3R,4R)-3-(1,3-benzodioxol-5-yl)-4-oxidanyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]benzenecarbonitrile Openeye Name: 4-[(3R,4R)-3-(1,3-benzodioxol-5-yl)-4-hydroxy-2-(2-pyridyl)-3,4-dihydropyrazol-5-yl]benzonitrile CAS Name: 4-[(3R,4R)-3-(1,3-benzodioxol-5-yl)-4-hydroxy-2-(2-pyridinyl)-3,4-dihydropyrazol-5-yl]benzonitrile IUPAC Name: 4-[(3R,4R)-3-(1,3-benzodioxol-5-yl)-4-hydroxy-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]benzonitrile Traditional Name: 4-[(4R,5R)-5-(1,3-benzodioxol-5-yl)-4-hydroxy-1-(2-pyridyl)-2-pyrazolin-3-yl]benzonitrile Formula: C22H16N4O3 MolecularWeight: 384.38744

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3C(C(=NN3C4=CC=CC=N4)C5=CC=C(C=C5)C#N)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@@H]3[C@H](C(=NN3C4=CC=CC=N4)C5=CC=C(C=C5)C#N)O

InChI

InChI=1S/C22H16N4O3/c23-12-14-4-6-15(7-5-14)20-22(27)21(26(25-20)19-3-1-2-10-24-19)16-8-9-17-18(11-16)29-13-28-17/h1-11,21-22,27H,13H2/t21-,22+/m1/s1