2-[4-(1-tert-butyl-5-methyl-pyrazol-4-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(1-tert-butyl-5-methyl-pyrazol-4-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(1-tert-butyl-5-methyl-pyrazole-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(1-tert-butyl-5-methyl-4-pyrazolyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(1-tert-butyl-5-methylpyrazole-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(1-tert-butyl-5-methyl-pyrazole-4-carbonyl)piperazino]sulfonylbenzonitrile Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C(C)(C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=C(C=NN1C(C)(C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H25N5O3S/c1-15-17(14-22-25(15)20(2,3)4)19(26)23-9-11-24(12-10-23)29(27,28)18-8-6-5-7-16(18)13-21/h5-8,14H,9-12H2,1-4H3