2-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-3-oxidanylidene-N-(pyridin-3-ylmethyl)-1H-isoindole-5-carboxamide

Systemtic Name: 2-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-3-oxidanylidene-N-(pyridin-3-ylmethyl)-1H-isoindole-5-carboxamide Openeye Name: 2-[(3-chloro-4-fluoro-phenyl)methyl]-3-oxo-N-(3-pyridylmethyl)isoindoline-5-carboxamide CAS Name: 2-[(3-chloro-4-fluorophenyl)methyl]-3-oxo-N-(3-pyridinylmethyl)-1H-isoindole-5-carboxamide IUPAC Name: 2-[(3-chloro-4-fluorophenyl)methyl]-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-5-carboxamide Traditional Name: 2-(3-chloro-4-fluoro-benzyl)-3-keto-N-(3-pyridylmethyl)isoindoline-5-carboxamide Formula: C22H17ClFN3O2 MolecularWeight: 409.840683

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)C(=O)NCC3=CN=CC=C3)C(=O)N1CC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1C2=C(C=C(C=C2)C(=O)NCC3=CN=CC=C3)C(=O)N1CC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H17ClFN3O2/c23-19-8-14(3-6-20(19)24)12-27-13-17-5-4-16(9-18(17)22(27)29)21(28)26-11-15-2-1-7-25-10-15/h1-10H,11-13H2,(H,26,28)