2-[4-[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxopropyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoyl]piperazino]sulfonylbenzonitrile Formula: C25H27N5O3S MolecularWeight: 477.57858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C25H27N5O3S/c1-19-23(20(2)30(27-19)22-9-4-3-5-10-22)12-13-25(31)28-14-16-29(17-15-28)34(32,33)24-11-7-6-8-21(24)18-26/h3-11H,12-17H2,1-2H3