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

Systemtic Name: 3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoyl]-N-butan-2-yl-4,5-dihydro-1H-pyrazole-5-carboxamide Openeye Name: 3-[2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanoyl]-N-sec-butyl-4,5-dihydro-1H-pyrazole-5-carboxamide CAS Name: N-butan-2-yl-3-[2-(1,3-dioxo-2-isoindolyl)-3-methyl-1-oxobutyl]-4,5-dihydro-1H-pyrazole-5-carboxamide IUPAC Name: N-butan-2-yl-3-[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]-4,5-dihydro-1H-pyrazole-5-carboxamide Traditional Name: 5-(3-methyl-2-phthalimido-butanoyl)-N-sec-butyl-2-pyrazoline-3-carboxamide Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4/c1-5-12(4)22-19(27)16-10-15(23-24-16)18(26)17(11(2)3)25-20(28)13-8-6-7-9-14(13)21(25)29/h6-9,11-12,16-17,24H,5,10H2,1-4H3,(H,22,27)