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

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-heptan-2-yl-propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(1-methylhexyl)propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-heptan-2-ylpropanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-heptan-2-ylpropanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(1-methylhexyl)propionamide Formula: C18H30N4O MolecularWeight: 318.457

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CCC1=C(N(N=C1C)CCC#N)C

Isomeric SMILES

CCCCCC(C)NC(=O)CCC1=C(N(N=C1C)CCC#N)C

InChI

InChI=1S/C18H30N4O/c1-5-6-7-9-14(2)20-18(23)11-10-17-15(3)21-22(16(17)4)13-8-12-19/h14H,5-11,13H2,1-4H3,(H,20,23)