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

Systemtic Name: 1,3-bis(oxidanylidene)-2-(phenylmethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)isoindole-5-carboxamide Openeye Name: 2-benzyl-1,3-dioxo-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]isoindoline-5-carboxamide CAS Name: 1,3-dioxo-2-(phenylmethyl)-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]-5-isoindolecarboxamide IUPAC Name: 2-benzyl-1,3-dioxo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)isoindole-5-carboxamide Traditional Name: 2-benzyl-1,3-diketo-N-[2-pyrrolidino-2-(2-thienyl)ethyl]isoindoline-5-carboxamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C1CCN(C1)C(CNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C26H25N3O3S/c30-24(27-16-22(23-9-6-14-33-23)28-12-4-5-13-28)19-10-11-20-21(15-19)26(32)29(25(20)31)17-18-7-2-1-3-8-18/h1-3,6-11,14-15,22H,4-5,12-13,16-17H2,(H,27,30)