5-[2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-yl]ethanoylamino]benzene-1,3-dicarboxamide

Systemtic Name: 5-[2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-yl]ethanoylamino]benzene-1,3-dicarboxamide Openeye Name: 5-[[2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxo-piperazin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide CAS Name: 5-[[2-[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-oxo-1-piperazinyl]-1-oxoethyl]amino]benzene-1,3-dicarboxamide IUPAC Name: 5-[[2-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide Traditional Name: 5-[[2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-keto-piperazino]acetyl]amino]isophthalamide Formula: C25H27N7O4 MolecularWeight: 489.52638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3CC(=O)NC4=CC(=CC(=C4)C(=O)N)C(=O)N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3CC(=O)NC4=CC(=CC(=C4)C(=O)N)C(=O)N

InChI

InChI=1S/C25H27N7O4/c1-14-21(15(2)32(30-14)19-6-4-3-5-7-19)22-25(36)28-8-9-31(22)13-20(33)29-18-11-16(23(26)34)10-17(12-18)24(27)35/h3-7,10-12,22H,8-9,13H2,1-2H3,(H2,26,34)(H2,27,35)(H,28,36)(H,29,33)