2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanyl-4-phenyl-butyl]-N-tert-butyl-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanyl-4-phenyl-butyl]-N-tert-butyl-1H-isoquinoline-3-carboxamide Openeye Name: N-tert-butyl-2-[3-(1,3-dioxoisoindolin-2-yl)-2-hydroxy-4-phenyl-butyl]-1H-isoquinoline-3-carboxamide CAS Name: N-tert-butyl-2-[3-(1,3-dioxo-2-isoindolyl)-2-hydroxy-4-phenylbutyl]-1H-isoquinoline-3-carboxamide IUPAC Name: N-tert-butyl-2-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxy-4-phenylbutyl]-1H-isoquinoline-3-carboxamide Traditional Name: N-tert-butyl-2-(2-hydroxy-4-phenyl-3-phthalimido-butyl)-1H-isoquinoline-3-carboxamide Formula: C32H33N3O4 MolecularWeight: 523.62212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC2=CC=CC=C2CN1CC(C(CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O)O

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC2=CC=CC=C2CN1CC(C(CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O)O

InChI

InChI=1S/C32H33N3O4/c1-32(2,3)33-29(37)27-18-22-13-7-8-14-23(22)19-34(27)20-28(36)26(17-21-11-5-4-6-12-21)35-30(38)24-15-9-10-16-25(24)31(35)39/h4-16,18,26,28,36H,17,19-20H2,1-3H3,(H,33,37)