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

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-[[4-(1-pyrrolidinyl)phenyl]methyl]propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(4-pyrrolidinobenzyl)propionamide Formula: C22H29N5O MolecularWeight: 379.49856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NCC2=CC=C(C=C2)N3CCCC3

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NCC2=CC=C(C=C2)N3CCCC3

InChI

InChI=1S/C22H29N5O/c1-17-21(18(2)27(25-17)15-5-12-23)10-11-22(28)24-16-19-6-8-20(9-7-19)26-13-3-4-14-26/h6-9H,3-5,10-11,13-16H2,1-2H3,(H,24,28)