1,3-bis(oxidanylidene)-2-(phenylmethyl)-N-(6-pyrrolidin-1-ylpyridin-3-yl)isoindole-5-carboxamide

Systemtic Name: 1,3-bis(oxidanylidene)-2-(phenylmethyl)-N-(6-pyrrolidin-1-ylpyridin-3-yl)isoindole-5-carboxamide Openeye Name: 2-benzyl-1,3-dioxo-N-(6-pyrrolidin-1-yl-3-pyridyl)isoindoline-5-carboxamide CAS Name: 1,3-dioxo-2-(phenylmethyl)-N-[6-(1-pyrrolidinyl)-3-pyridinyl]-5-isoindolecarboxamide IUPAC Name: 2-benzyl-1,3-dioxo-N-(6-pyrrolidin-1-ylpyridin-3-yl)isoindole-5-carboxamide Traditional Name: 2-benzyl-1,3-diketo-N-(6-pyrrolidino-3-pyridyl)isoindoline-5-carboxamide Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(C=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=NC=C(C=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H22N4O3/c30-23(27-19-9-11-22(26-15-19)28-12-4-5-13-28)18-8-10-20-21(14-18)25(32)29(24(20)31)16-17-6-2-1-3-7-17/h1-3,6-11,14-15H,4-5,12-13,16H2,(H,27,30)