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

Systemtic Name: N-[3-[3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-1-oxopropyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanoylamino]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]phenyl]thiophene-2-carboxamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H23N5O2S/c1-15-19(16(2)27(26-15)12-5-11-23)9-10-21(28)24-17-6-3-7-18(14-17)25-22(29)20-8-4-13-30-20/h3-4,6-8,13-14H,5,9-10,12H2,1-2H3,(H,24,28)(H,25,29)