1,3-bis(oxidanylidene)-2-phenethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]isoindole-5-carboxamide

Systemtic Name: 1,3-bis(oxidanylidene)-2-phenethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]isoindole-5-carboxamide Openeye Name: 1,3-dioxo-2-phenethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]isoindoline-5-carboxamide CAS Name: 1,3-dioxo-2-phenethyl-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-5-isoindolecarboxamide IUPAC Name: 1,3-dioxo-2-phenethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]isoindole-5-carboxamide Traditional Name: 1,3-diketo-2-phenethyl-N-[3-[4-(2-pyrimidyl)piperazino]propyl]isoindoline-5-carboxamide Formula: C28H30N6O3 MolecularWeight: 498.5762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC4=CC=CC=C4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC4=CC=CC=C4)C5=NC=CC=N5

InChI

InChI=1S/C28H30N6O3/c35-25(29-13-5-14-32-16-18-33(19-17-32)28-30-11-4-12-31-28)22-8-9-23-24(20-22)27(37)34(26(23)36)15-10-21-6-2-1-3-7-21/h1-4,6-9,11-12,20H,5,10,13-19H2,(H,29,35)