3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propionamide Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NCC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NCC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H24N4O3/c1-14-17(15(2)24(23-14)9-3-8-21)5-7-20(25)22-13-16-4-6-18-19(12-16)27-11-10-26-18/h4,6,12H,3,5,7,9-11,13H2,1-2H3,(H,22,25)