4-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperazin-2-one

Systemtic Name: 4-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperazin-2-one Openeye Name: 4-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]piperazin-2-one CAS Name: 4-[[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-2-piperazinone IUPAC Name: 4-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-2-one Traditional Name: 4-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]piperazin-2-one Formula: C22H22N4O4 MolecularWeight: 406.43448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CCNC(=O)C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CCNC(=O)C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C22H22N4O4/c1-29-18-9-8-15(12-19(18)30-2)21-17(22(28)25-11-10-23-20(27)14-25)13-26(24-21)16-6-4-3-5-7-16/h3-9,12-13H,10-11,14H2,1-2H3,(H,23,27)