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

Systemtic Name: 2-[(4-cyanophenyl)methyl]-1-oxidanylidene-N-(pyrimidin-5-ylmethyl)-3H-isoindole-5-carboxamide Openeye Name: 2-[(4-cyanophenyl)methyl]-1-oxo-N-(pyrimidin-5-ylmethyl)isoindoline-5-carboxamide CAS Name: 2-[(4-cyanophenyl)methyl]-1-oxo-N-(5-pyrimidinylmethyl)-3H-isoindole-5-carboxamide IUPAC Name: 2-[(4-cyanophenyl)methyl]-1-oxo-N-(pyrimidin-5-ylmethyl)-3H-isoindole-5-carboxamide Traditional Name: 2-(4-cyanobenzyl)-1-keto-N-(5-pyrimidylmethyl)isoindoline-5-carboxamide Formula: C22H17N5O2 MolecularWeight: 383.40268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N5O2/c23-8-15-1-3-16(4-2-15)12-27-13-19-7-18(5-6-20(19)22(27)29)21(28)26-11-17-9-24-14-25-10-17/h1-7,9-10,14H,11-13H2,(H,26,28)