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

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(4-morpholin-4-ylphenyl)propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(4-morpholinophenyl)propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-[4-(4-morpholinyl)phenyl]propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-(4-morpholin-4-ylphenyl)propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(4-morpholinophenyl)propionamide Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=CC=C(C=C2)N3CCOCC3

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=CC=C(C=C2)N3CCOCC3

InChI

InChI=1S/C21H27N5O2/c1-16-20(17(2)26(24-16)11-3-10-22)8-9-21(27)23-18-4-6-19(7-5-18)25-12-14-28-15-13-25/h4-7H,3,8-9,11-15H2,1-2H3,(H,23,27)