1,3-bis(oxidanylidene)-6-piperazin-1-yl-7-(2-propan-2-yloxyphenyl)-4-propyl-isoindole-5-carboxamide

Systemtic Name: 1,3-bis(oxidanylidene)-6-piperazin-1-yl-7-(2-propan-2-yloxyphenyl)-4-propyl-isoindole-5-carboxamide Openeye Name: 7-(2-isopropoxyphenyl)-1,3-dioxo-6-piperazin-1-yl-4-propyl-isoindoline-5-carboxamide CAS Name: 1,3-dioxo-6-(1-piperazinyl)-7-(2-propan-2-yloxyphenyl)-4-propyl-5-isoindolecarboxamide IUPAC Name: 1,3-dioxo-6-piperazin-1-yl-7-(2-propan-2-yloxyphenyl)-4-propylisoindole-5-carboxamide Traditional Name: 7-(2-isopropoxyphenyl)-1,3-diketo-6-piperazino-4-propyl-isoindoline-5-carboxamide Formula: C25H30N4O4 MolecularWeight: 450.5301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=C(C(=C1C(=O)N)N3CCNCC3)C4=CC=CC=C4OC(C)C)C(=O)NC2=O

Isomeric SMILES

CCCC1=C2C(=C(C(=C1C(=O)N)N3CCNCC3)C4=CC=CC=C4OC(C)C)C(=O)NC2=O

InChI

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