3-[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-[3-(3,5-dimethyl-1-pyrazolyl)-2-quinoxalinyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazino]sulfonylbenzonitrile Formula: C24H23N7O2S MolecularWeight: 473.55012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=CC=CC=C3N=C2N4CCN(CC4)S(=O)(=O)C5=CC=CC(=C5)C#N)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=CC=CC=C3N=C2N4CCN(CC4)S(=O)(=O)C5=CC=CC(=C5)C#N)C

InChI

InChI=1S/C24H23N7O2S/c1-17-14-18(2)31(28-17)24-23(26-21-8-3-4-9-22(21)27-24)29-10-12-30(13-11-29)34(32,33)20-7-5-6-19(15-20)16-25/h3-9,14-15H,10-13H2,1-2H3