4-[4-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[1-phenyl-3-(3-pyridyl)pyrazole-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[oxo-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[1-phenyl-3-(3-pyridyl)pyrazole-4-carbonyl]piperazino]sulfonylbenzonitrile Formula: C26H22N6O3S MolecularWeight: 498.55628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C26H22N6O3S/c27-17-20-8-10-23(11-9-20)36(34,35)31-15-13-30(14-16-31)26(33)24-19-32(22-6-2-1-3-7-22)29-25(24)21-5-4-12-28-18-21/h1-12,18-19H,13-16H2