2-[[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-4-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-4-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[1-[2-(4-pyridyl)quinazolin-4-yl]-4-piperidyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[1-(2-pyridin-4-yl-4-quinazolinyl)-4-piperidinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-4-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[1-[2-(4-pyridyl)quinazolin-4-yl]-4-piperidyl]methyl]isoindoline-1,3-quinone Formula: C27H23N5O2 MolecularWeight: 449.50382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C(=O)C3=CC=CC=C3C2=O)C4=NC(=NC5=CC=CC=C54)C6=CC=NC=C6

Isomeric SMILES

C1CN(CCC1CN2C(=O)C3=CC=CC=C3C2=O)C4=NC(=NC5=CC=CC=C54)C6=CC=NC=C6

InChI

InChI=1S/C27H23N5O2/c33-26-20-5-1-2-6-21(20)27(34)32(26)17-18-11-15-31(16-12-18)25-22-7-3-4-8-23(22)29-24(30-25)19-9-13-28-14-10-19/h1-10,13-14,18H,11-12,15-17H2