3-[3,5-dimethyl-4-[3-oxidanylidene-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3,5-dimethyl-4-[3-oxidanylidene-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]pyrazol-1-yl]propanenitrile Openeye Name: 3-[3,5-dimethyl-4-[3-oxo-3-[4-(4-pyridyl)piperazin-1-yl]propyl]pyrazol-1-yl]propanenitrile CAS Name: 3-[3,5-dimethyl-4-[3-oxo-3-(4-pyridin-4-yl-1-piperazinyl)propyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3,5-dimethyl-4-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]pyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[3-keto-3-[4-(4-pyridyl)piperazino]propyl]-3,5-dimethyl-pyrazol-1-yl]propionitrile Formula: C20H26N6O MolecularWeight: 366.46004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)N2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)N2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C20H26N6O/c1-16-19(17(2)26(23-16)11-3-8-21)4-5-20(27)25-14-12-24(13-15-25)18-6-9-22-10-7-18/h6-7,9-10H,3-5,11-15H2,1-2H3