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

Systemtic Name: 4-[[3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanoyl-methyl-amino]methyl]benzamide Openeye Name: 4-[[3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanoyl-methyl-amino]methyl]benzamide CAS Name: 4-[[[3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-1-oxopropyl]-methylamino]methyl]benzamide IUPAC Name: 4-[[3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanoyl-methylamino]methyl]benzamide Traditional Name: 4-[[3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanoyl-methyl-amino]methyl]benzamide Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)N(C)CC2=CC=C(C=C2)C(=O)N

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)N(C)CC2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C20H25N5O2/c1-14-18(15(2)25(23-14)12-4-11-21)9-10-19(26)24(3)13-16-5-7-17(8-6-16)20(22)27/h5-8H,4,9-10,12-13H2,1-3H3,(H2,22,27)