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

Systemtic Name: 3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoyl]-N-butan-2-yl-4,5-dihydro-1H-pyrazole-5-carboxamide Openeye Name: 3-[2-(1,3-dioxoisoindolin-2-yl)-3-phenyl-propanoyl]-N-sec-butyl-4,5-dihydro-1H-pyrazole-5-carboxamide CAS Name: N-butan-2-yl-3-[2-(1,3-dioxo-2-isoindolyl)-1-oxo-3-phenylpropyl]-4,5-dihydro-1H-pyrazole-5-carboxamide IUPAC Name: N-butan-2-yl-3-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]-4,5-dihydro-1H-pyrazole-5-carboxamide Traditional Name: 5-(3-phenyl-2-phthalimido-propanoyl)-N-sec-butyl-2-pyrazoline-3-carboxamide Formula: C25H26N4O4 MolecularWeight: 446.49834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1CC(=NN1)C(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCC(C)NC(=O)C1CC(=NN1)C(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H26N4O4/c1-3-15(2)26-23(31)20-14-19(27-28-20)22(30)21(13-16-9-5-4-6-10-16)29-24(32)17-11-7-8-12-18(17)25(29)33/h4-12,15,20-21,28H,3,13-14H2,1-2H3,(H,26,31)