3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)propanamide

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[2-pyrrolidino-2-(2-thienyl)ethyl]propionamide Formula: C21H29N5OS MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NCC(C2=CC=CS2)N3CCCC3

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NCC(C2=CC=CS2)N3CCCC3

InChI

InChI=1S/C21H29N5OS/c1-16-18(17(2)26(24-16)13-6-10-22)8-9-21(27)23-15-19(20-7-5-14-28-20)25-11-3-4-12-25/h5,7,14,19H,3-4,6,8-9,11-13,15H2,1-2H3,(H,23,27)