2-[4-[4-[5-(1H-indol-3-yl)pyrimidin-2-yl]piperazin-1-yl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-[5-(1H-indol-3-yl)pyrimidin-2-yl]piperazin-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-[5-(1H-indol-3-yl)pyrimidin-2-yl]piperazin-1-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-[5-(1H-indol-3-yl)-2-pyrimidinyl]-1-piperazinyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-[5-(1H-indol-3-yl)pyrimidin-2-yl]piperazin-1-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-[5-(1H-indol-3-yl)pyrimidin-2-yl]piperazino]butyl]isoindoline-1,3-quinone Formula: C28H28N6O2 MolecularWeight: 480.56092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3C2=O)C4=NC=C(C=N4)C5=CNC6=CC=CC=C65

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3C2=O)C4=NC=C(C=N4)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C28H28N6O2/c35-26-22-8-1-2-9-23(22)27(36)34(26)12-6-5-11-32-13-15-33(16-14-32)28-30-17-20(18-31-28)24-19-29-25-10-4-3-7-21(24)25/h1-4,7-10,17-19,29H,5-6,11-16H2