2-cyclooctyl-3-oxidanylidene-N-(pyridin-3-ylmethyl)-1H-isoindole-1-carboxamide

Systemtic Name: 2-cyclooctyl-3-oxidanylidene-N-(pyridin-3-ylmethyl)-1H-isoindole-1-carboxamide Openeye Name: 2-cyclooctyl-3-oxo-N-(3-pyridylmethyl)isoindoline-1-carboxamide CAS Name: 2-cyclooctyl-3-oxo-N-(3-pyridinylmethyl)-1H-isoindole-1-carboxamide IUPAC Name: 2-cyclooctyl-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-1-carboxamide Traditional Name: 2-cyclooctyl-3-keto-N-(3-pyridylmethyl)isoindoline-1-carboxamide Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)N2C(C3=CC=CC=C3C2=O)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1CCCC(CCC1)N2C(C3=CC=CC=C3C2=O)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C23H27N3O2/c27-22(25-16-17-9-8-14-24-15-17)21-19-12-6-7-13-20(19)23(28)26(21)18-10-4-2-1-3-5-11-18/h6-9,12-15,18,21H,1-5,10-11,16H2,(H,25,27)