3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-isoquinolin-5-yl-propanamide

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-isoquinolin-5-yl-propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(5-isoquinolyl)propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-(5-isoquinolinyl)propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-isoquinolin-5-ylpropanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(5-isoquinolyl)propionamide Formula: C20H21N5O MolecularWeight: 347.41364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H21N5O/c1-14-17(15(2)25(24-14)12-4-10-21)7-8-20(26)23-19-6-3-5-16-13-22-11-9-18(16)19/h3,5-6,9,11,13H,4,7-8,12H2,1-2H3,(H,23,26)