3-[[3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]methyl]-N,N-dimethyl-benzamide

Systemtic Name: 3-[[3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]methyl]-N,N-dimethyl-benzamide Openeye Name: 3-[[3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]methyl]-N,N-dimethyl-benzamide CAS Name: 3-[[[3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-1-oxopropyl]amino]methyl]-N,N-dimethylbenzamide IUPAC Name: 3-[[3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanoylamino]methyl]-N,N-dimethylbenzamide Traditional Name: 3-[[3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]methyl]-N,N-dimethyl-benzamide Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2/c1-15-19(16(2)26(24-15)12-6-11-22)9-10-20(27)23-14-17-7-5-8-18(13-17)21(28)25(3)4/h5,7-8,13H,6,9-10,12,14H2,1-4H3,(H,23,27)