2-phenethyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione

Systemtic Name: 2-phenethyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-phenethyl-5-[4-(4-pyridylmethyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 5-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]-2-phenethylisoindole-1,3-dione IUPAC Name: 2-phenethyl-5-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-phenethyl-5-[4-(4-pyridylmethyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O3/c32-25(30-16-14-29(15-17-30)19-21-8-11-28-12-9-21)22-6-7-23-24(18-22)27(34)31(26(23)33)13-10-20-4-2-1-3-5-20/h1-9,11-12,18H,10,13-17,19H2