2-[[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonylphenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonylphenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-[4-(4-pyridylmethyl)piperazine-1-carbonyl]phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(4-pyridylmethyl)piperazine-1-carbonyl]benzyl]isoindoline-1,3-quinone Formula: C26H24N4O3 MolecularWeight: 440.49376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H24N4O3/c31-24(29-15-13-28(14-16-29)17-20-9-11-27-12-10-20)21-7-5-19(6-8-21)18-30-25(32)22-3-1-2-4-23(22)26(30)33/h1-12H,13-18H2