2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]ethanamide

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]ethanamide Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxo-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]acetamide CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-oxo-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]acetamide IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]acetamide Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-keto-N-[6-(3-ketopiperazino)-3-pyridyl]acetamide Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

InChI

InChI=1S/C22H22N6O3/c1-14-20(15(2)28(26-14)17-6-4-3-5-7-17)21(30)22(31)25-16-8-9-18(24-12-16)27-11-10-23-19(29)13-27/h3-9,12H,10-11,13H2,1-2H3,(H,23,29)(H,25,31)