3-[3,5-dimethyl-4-[3-oxidanylidene-3-[2-(phenylmethyl)pyrrolidin-1-yl]propyl]pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3,5-dimethyl-4-[3-oxidanylidene-3-[2-(phenylmethyl)pyrrolidin-1-yl]propyl]pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[3-(2-benzylpyrrolidin-1-yl)-3-oxo-propyl]-3,5-dimethyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[3,5-dimethyl-4-[3-oxo-3-[2-(phenylmethyl)-1-pyrrolidinyl]propyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[3-(2-benzylpyrrolidin-1-yl)-3-oxopropyl]-3,5-dimethylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[3-(2-benzylpyrrolidino)-3-keto-propyl]-3,5-dimethyl-pyrazol-1-yl]propionitrile Formula: C22H28N4O MolecularWeight: 364.48392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)N2CCCC2CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)N2CCCC2CC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O/c1-17-21(18(2)26(24-17)15-7-13-23)11-12-22(27)25-14-6-10-20(25)16-19-8-4-3-5-9-19/h3-5,8-9,20H,6-7,10-12,14-16H2,1-2H3