1-cyclohexyl-4-[[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]carbonyl]piperazin-2-one

Systemtic Name: 1-cyclohexyl-4-[[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]carbonyl]piperazin-2-one Openeye Name: 1-cyclohexyl-4-[3-(2-ethoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-2-one CAS Name: 1-cyclohexyl-4-[[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]-oxomethyl]-2-piperazinone IUPAC Name: 1-cyclohexyl-4-[3-(2-ethoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-2-one Traditional Name: 1-cyclohexyl-4-(3-o-phenetyl-1H-pyrazole-5-carbonyl)piperazin-2-one Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NNC(=C2)C(=O)N3CCN(C(=O)C3)C4CCCCC4

Isomeric SMILES

CCOC1=CC=CC=C1C2=NNC(=C2)C(=O)N3CCN(C(=O)C3)C4CCCCC4

InChI

InChI=1S/C22H28N4O3/c1-2-29-20-11-7-6-10-17(20)18-14-19(24-23-18)22(28)25-12-13-26(21(27)15-25)16-8-4-3-5-9-16/h6-7,10-11,14,16H,2-5,8-9,12-13,15H2,1H3,(H,23,24)