3-[[4-(hydroxymethyl)-2,5-dimethyl-pyrazol-3-yl]-(pyridin-3-ylmethyl)amino]propanenitrile

Systemtic Name: 3-[[4-(hydroxymethyl)-2,5-dimethyl-pyrazol-3-yl]-(pyridin-3-ylmethyl)amino]propanenitrile Openeye Name: 3-[[4-(hydroxymethyl)-2,5-dimethyl-pyrazol-3-yl]-(3-pyridylmethyl)amino]propanenitrile CAS Name: 3-[[4-(hydroxymethyl)-2,5-dimethyl-3-pyrazolyl]-(3-pyridinylmethyl)amino]propanenitrile IUPAC Name: 3-[[4-(hydroxymethyl)-2,5-dimethylpyrazol-3-yl]-(pyridin-3-ylmethyl)amino]propanenitrile Traditional Name: 3-[(2,5-dimethyl-4-methylol-pyrazol-3-yl)-(3-pyridylmethyl)amino]propionitrile Formula: C15H19N5O MolecularWeight: 285.34426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CO)N(CCC#N)CC2=CN=CC=C2)C

Isomeric SMILES

CC1=NN(C(=C1CO)N(CCC#N)CC2=CN=CC=C2)C

InChI

InChI=1S/C15H19N5O/c1-12-14(11-21)15(19(2)18-12)20(8-4-6-16)10-13-5-3-7-17-9-13/h3,5,7,9,21H,4,8,10-11H2,1-2H3