4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]butanenitrile

Systemtic Name: 4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]butanenitrile Openeye Name: 4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]butanenitrile CAS Name: 4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]butanenitrile IUPAC Name: 4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]butanenitrile Traditional Name: 4-[3-(4-chlorophenyl)-2-pyrazolin-4-yl]butyronitrile Formula: C13H14ClN3 MolecularWeight: 247.72336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=NN1)C2=CC=C(C=C2)Cl)CCCC#N

Isomeric SMILES

C1C(C(=NN1)C2=CC=C(C=C2)Cl)CCCC#N

InChI

InChI=1S/C13H14ClN3/c14-12-6-4-10(5-7-12)13-11(9-16-17-13)3-1-2-8-15/h4-7,11,16H,1-3,9H2