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

Systemtic Name: 1,3-bis(oxidanylidene)-2-(phenylmethyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]isoindole-5-carboxamide Openeye Name: 2-benzyl-1,3-dioxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]isoindoline-5-carboxamide CAS Name: 1,3-dioxo-2-(phenylmethyl)-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-5-isoindolecarboxamide IUPAC Name: 2-benzyl-1,3-dioxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]isoindole-5-carboxamide Traditional Name: 2-benzyl-1,3-diketo-N-[3-[4-(2-pyrimidyl)piperazino]propyl]isoindoline-5-carboxamide Formula: C27H28N6O3 MolecularWeight: 484.54962

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CC=C4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CC=C4)C5=NC=CC=N5

InChI

InChI=1S/C27H28N6O3/c34-24(28-12-5-13-31-14-16-32(17-15-31)27-29-10-4-11-30-27)21-8-9-22-23(18-21)26(36)33(25(22)35)19-20-6-2-1-3-7-20/h1-4,6-11,18H,5,12-17,19H2,(H,28,34)