7-cyano-3-oxidanylidene-2-(2-pyridin-2-ylethyl)-N-[[4-(trifluoromethyloxy)phenyl]methyl]-1H-isoindole-1-carboxamide

Systemtic Name: 7-cyano-3-oxidanylidene-2-(2-pyridin-2-ylethyl)-N-[[4-(trifluoromethyloxy)phenyl]methyl]-1H-isoindole-1-carboxamide Openeye Name: 7-cyano-3-oxo-2-[2-(2-pyridyl)ethyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]isoindoline-1-carboxamide CAS Name: 7-cyano-3-oxo-2-[2-(2-pyridinyl)ethyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide IUPAC Name: 7-cyano-3-oxo-2-(2-pyridin-2-ylethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide Traditional Name: 7-cyano-3-keto-2-[2-(2-pyridyl)ethyl]-N-[4-(trifluoromethoxy)benzyl]isoindoline-1-carboxamide Formula: C25H19F3N4O3 MolecularWeight: 480.43857

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCN2C(C3=C(C=CC=C3C2=O)C#N)C(=O)NCC4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

C1=CC=NC(=C1)CCN2C(C3=C(C=CC=C3C2=O)C#N)C(=O)NCC4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C25H19F3N4O3/c26-25(27,28)35-19-9-7-16(8-10-19)15-31-23(33)22-21-17(14-29)4-3-6-20(21)24(34)32(22)13-11-18-5-1-2-12-30-18/h1-10,12,22H,11,13,15H2,(H,31,33)