2-[(4-chlorophenyl)methyl]-3-oxidanylidene-N-(pyrimidin-5-ylmethyl)-1H-isoindole-5-carboxamide

Systemtic Name: 2-[(4-chlorophenyl)methyl]-3-oxidanylidene-N-(pyrimidin-5-ylmethyl)-1H-isoindole-5-carboxamide Openeye Name: 2-[(4-chlorophenyl)methyl]-3-oxo-N-(pyrimidin-5-ylmethyl)isoindoline-5-carboxamide CAS Name: 2-[(4-chlorophenyl)methyl]-3-oxo-N-(5-pyrimidinylmethyl)-1H-isoindole-5-carboxamide IUPAC Name: 2-[(4-chlorophenyl)methyl]-3-oxo-N-(pyrimidin-5-ylmethyl)-1H-isoindole-5-carboxamide Traditional Name: 2-(4-chlorobenzyl)-3-keto-N-(5-pyrimidylmethyl)isoindoline-5-carboxamide Formula: C21H17ClN4O2 MolecularWeight: 392.83828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN4O2/c22-18-5-1-14(2-6-18)11-26-12-17-4-3-16(7-19(17)21(26)28)20(27)25-10-15-8-23-13-24-9-15/h1-9,13H,10-12H2,(H,25,27)