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

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[(4-dimethylaminophenyl)methyl]propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[(4-dimethylaminophenyl)methyl]propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-[(4-dimethylaminophenyl)methyl]propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[(4-dimethylaminophenyl)methyl]propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[4-(dimethylamino)benzyl]propionamide Formula: C20H27N5O MolecularWeight: 353.46128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O/c1-15-19(16(2)25(23-15)13-5-12-21)10-11-20(26)22-14-17-6-8-18(9-7-17)24(3)4/h6-9H,5,10-11,13-14H2,1-4H3,(H,22,26)