2-[3-(3-methyl-5-oxidanyl-phenyl)-4-[2-(2-oxidanylpropylamino)pyridin-4-yl]pyrazol-1-yl]ethanenitrile

Systemtic Name: 2-[3-(3-methyl-5-oxidanyl-phenyl)-4-[2-(2-oxidanylpropylamino)pyridin-4-yl]pyrazol-1-yl]ethanenitrile Openeye Name: 2-[3-(3-hydroxy-5-methyl-phenyl)-4-[2-(2-hydroxypropylamino)-4-pyridyl]pyrazol-1-yl]acetonitrile CAS Name: 2-[3-(3-hydroxy-5-methylphenyl)-4-[2-(2-hydroxypropylamino)-4-pyridinyl]-1-pyrazolyl]acetonitrile IUPAC Name: 2-[3-(3-hydroxy-5-methylphenyl)-4-[2-(2-hydroxypropylamino)pyridin-4-yl]pyrazol-1-yl]acetonitrile Traditional Name: 2-[3-(3-hydroxy-5-methyl-phenyl)-4-[2-(2-hydroxypropylamino)-4-pyridyl]pyrazol-1-yl]acetonitrile Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2/c1-13-7-16(9-17(27)8-13)20-18(12-25(24-20)6-4-21)15-3-5-22-19(10-15)23-11-14(2)26/h3,5,7-10,12,14,26-27H,6,11H2,1-2H3,(H,22,23)