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

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(2-pyrrolidin-1-ylphenyl)propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(2-pyrrolidin-1-ylphenyl)propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-[2-(1-pyrrolidinyl)phenyl]propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-pyrrolidin-1-ylphenyl)propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(2-pyrrolidinophenyl)propionamide Formula: C21H27N5O MolecularWeight: 365.47198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=CC=CC=C2N3CCCC3

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=CC=CC=C2N3CCCC3

InChI

InChI=1S/C21H27N5O/c1-16-18(17(2)26(24-16)15-7-12-22)10-11-21(27)23-19-8-3-4-9-20(19)25-13-5-6-14-25/h3-4,8-9H,5-7,10-11,13-15H2,1-2H3,(H,23,27)