4-[6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]-1-ethyl-N-phenyl-pyrazole-3-carboxamide

Systemtic Name: 4-[6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]-1-ethyl-N-phenyl-pyrazole-3-carboxamide Openeye Name: 4-[6-(1,3-dioxoisoindolin-2-yl)hexanoylamino]-1-ethyl-N-phenyl-pyrazole-3-carboxamide CAS Name: 4-[[6-(1,3-dioxo-2-isoindolyl)-1-oxohexyl]amino]-1-ethyl-N-phenyl-3-pyrazolecarboxamide IUPAC Name: 4-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]-1-ethyl-N-phenylpyrazole-3-carboxamide Traditional Name: 1-ethyl-N-phenyl-4-(6-phthalimidohexanoylamino)pyrazole-3-carboxamide Formula: C26H27N5O4 MolecularWeight: 473.52368

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=CC=CC=C2)NC(=O)CCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=CC=CC=C2)NC(=O)CCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C26H27N5O4/c1-2-30-17-21(23(29-30)24(33)27-18-11-5-3-6-12-18)28-22(32)15-7-4-10-16-31-25(34)19-13-8-9-14-20(19)26(31)35/h3,5-6,8-9,11-14,17H,2,4,7,10,15-16H2,1H3,(H,27,33)(H,28,32)