1,3-bis(oxidanylidene)-4-(1-piperazin-1-ylpropyl)-6-(2-propan-2-yloxyphenyl)isoindole-5-carboxamide

Systemtic Name: 1,3-bis(oxidanylidene)-4-(1-piperazin-1-ylpropyl)-6-(2-propan-2-yloxyphenyl)isoindole-5-carboxamide Openeye Name: 6-(2-isopropoxyphenyl)-1,3-dioxo-4-(1-piperazin-1-ylpropyl)isoindoline-5-carboxamide CAS Name: 1,3-dioxo-4-[1-(1-piperazinyl)propyl]-6-(2-propan-2-yloxyphenyl)-5-isoindolecarboxamide IUPAC Name: 1,3-dioxo-4-(1-piperazin-1-ylpropyl)-6-(2-propan-2-yloxyphenyl)isoindole-5-carboxamide Traditional Name: 6-(2-isopropoxyphenyl)-1,3-diketo-4-(1-piperazinopropyl)isoindoline-5-carboxamide Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=CC2=C1C(=O)NC2=O)C3=CC=CC=C3OC(C)C)C(=O)N)N4CCNCC4

Isomeric SMILES

CCC(C1=C(C(=CC2=C1C(=O)NC2=O)C3=CC=CC=C3OC(C)C)C(=O)N)N4CCNCC4

InChI

InChI=1S/C25H30N4O4/c1-4-18(29-11-9-27-10-12-29)22-20(23(26)30)16(13-17-21(22)25(32)28-24(17)31)15-7-5-6-8-19(15)33-14(2)3/h5-8,13-14,18,27H,4,9-12H2,1-3H3,(H2,26,30)(H,28,31,32)