3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(2-pyrrolidino-1,3-benzothiazol-6-yl)propionamide Formula: C22H26N6OS MolecularWeight: 422.54644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4

InChI

InChI=1S/C22H26N6OS/c1-15-18(16(2)28(26-15)13-5-10-23)7-9-21(29)24-17-6-8-19-20(14-17)30-22(25-19)27-11-3-4-12-27/h6,8,14H,3-5,7,9,11-13H2,1-2H3,(H,24,29)