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

Systemtic Name: N-(1-adamantyl)-3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanamide Openeye Name: N-(1-adamantyl)-3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanamide CAS Name: N-(1-adamantyl)-3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]propanamide IUPAC Name: N-(1-adamantyl)-3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanamide Traditional Name: N-(1-adamantyl)-3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propionamide Formula: C21H30N4O MolecularWeight: 354.4891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H30N4O/c1-14-19(15(2)25(24-14)7-3-6-22)4-5-20(26)23-21-11-16-8-17(12-21)10-18(9-16)13-21/h16-18H,3-5,7-13H2,1-2H3,(H,23,26)