2-[4-(2,5-diphenylpyrazol-3-yl)carbonylpiperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-(2,5-diphenylpyrazol-3-yl)carbonylpiperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-(2,5-diphenylpyrazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[(2,5-diphenyl-3-pyrazolyl)-oxomethyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-(2,5-diphenylpyrazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-(2,5-diphenylpyrazole-3-carbonyl)piperazino]nicotinonitrile Formula: C26H22N6O MolecularWeight: 434.49248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=N2)C#N)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=N2)C#N)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H22N6O/c27-19-21-10-7-13-28-25(21)30-14-16-31(17-15-30)26(33)24-18-23(20-8-3-1-4-9-20)29-32(24)22-11-5-2-6-12-22/h1-13,18H,14-17H2