3-oxidanylidene-2-(pyridin-3-ylmethyl)-N-(1-thiophen-2-ylethyl)-1H-isoindole-4-carboxamide

Systemtic Name: 3-oxidanylidene-2-(pyridin-3-ylmethyl)-N-(1-thiophen-2-ylethyl)-1H-isoindole-4-carboxamide Openeye Name: 3-oxo-2-(3-pyridylmethyl)-N-[1-(2-thienyl)ethyl]isoindoline-4-carboxamide CAS Name: 3-oxo-2-(3-pyridinylmethyl)-N-(1-thiophen-2-ylethyl)-1H-isoindole-4-carboxamide IUPAC Name: 3-oxo-2-(pyridin-3-ylmethyl)-N-(1-thiophen-2-ylethyl)-1H-isoindole-4-carboxamide Traditional Name: 3-keto-2-(3-pyridylmethyl)-N-[1-(2-thienyl)ethyl]isoindoline-4-carboxamide Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)CC4=CN=CC=C4

Isomeric SMILES

CC(C1=CC=CS1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)CC4=CN=CC=C4

InChI

InChI=1S/C21H19N3O2S/c1-14(18-8-4-10-27-18)23-20(25)17-7-2-6-16-13-24(21(26)19(16)17)12-15-5-3-9-22-11-15/h2-11,14H,12-13H2,1H3,(H,23,25)