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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=CC=C1)NC(=O)CCC2=C(N(N=C2C)CCC#N)C)C

Isomeric SMILES

CCC(=O)NC1=C(C(=CC=C1)NC(=O)CCC2=C(N(N=C2C)CCC#N)C)C

InChI

InChI=1S/C21H27N5O2/c1-5-20(27)23-18-8-6-9-19(14(18)2)24-21(28)11-10-17-15(3)25-26(16(17)4)13-7-12-22/h6,8-9H,5,7,10-11,13H2,1-4H3,(H,23,27)(H,24,28)