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

Systemtic Name: 4-[4-[(2S)-2-phenoxypropanoyl]piperazin-1-yl]-2-(pyridin-2-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-[(2S)-2-phenoxypropanoyl]piperazin-1-yl]-2-(2-pyridylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[(2S)-1-oxo-2-phenoxypropyl]-1-piperazinyl]-2-(2-pyridinylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-[(2S)-2-phenoxypropanoyl]piperazin-1-yl]-2-(pyridin-2-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-[(2S)-2-phenoxypropanoyl]piperazino]-2-(2-pyridylmethyl)isoindoline-1,3-quinone Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CC=CC=N4)OC5=CC=CC=C5

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CC=CC=N4)OC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O4/c1-19(35-21-9-3-2-4-10-21)25(32)30-16-14-29(15-17-30)23-12-7-11-22-24(23)27(34)31(26(22)33)18-20-8-5-6-13-28-20/h2-13,19H,14-18H2,1H3/t19-/m0/s1