3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanoyl]-N-butan-2-yl-4,5-dihydro-1H-pyrazole-5-carboxamide

Systemtic Name: 3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanoyl]-N-butan-2-yl-4,5-dihydro-1H-pyrazole-5-carboxamide Openeye Name: 3-[2-(1,3-dioxoisoindolin-2-yl)-4-methyl-pentanoyl]-N-sec-butyl-4,5-dihydro-1H-pyrazole-5-carboxamide CAS Name: N-butan-2-yl-3-[2-(1,3-dioxo-2-isoindolyl)-4-methyl-1-oxopentyl]-4,5-dihydro-1H-pyrazole-5-carboxamide IUPAC Name: N-butan-2-yl-3-[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]-4,5-dihydro-1H-pyrazole-5-carboxamide Traditional Name: 5-(4-methyl-2-phthalimido-pentanoyl)-N-sec-butyl-2-pyrazoline-3-carboxamide Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1CC(=NN1)C(=O)C(CC(C)C)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCC(C)NC(=O)C1CC(=NN1)C(=O)C(CC(C)C)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H28N4O4/c1-5-13(4)23-20(28)17-11-16(24-25-17)19(27)18(10-12(2)3)26-21(29)14-8-6-7-9-15(14)22(26)30/h6-9,12-13,17-18,25H,5,10-11H2,1-4H3,(H,23,28)