1,3-bis(oxidanylidene)-N-pentyl-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]isoindole-5-carboxamide

Systemtic Name: 1,3-bis(oxidanylidene)-N-pentyl-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]isoindole-5-carboxamide Openeye Name: 1,3-dioxo-N-pentyl-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]isoindoline-5-carboxamide CAS Name: 1,3-dioxo-N-pentyl-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-5-isoindolecarboxamide IUPAC Name: 1,3-dioxo-N-pentyl-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]isoindole-5-carboxamide Traditional Name: N-amyl-1,3-diketo-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]isoindoline-5-carboxamide Formula: C23H23N5O3 MolecularWeight: 417.46042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

CCCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C23H23N5O3/c1-2-3-4-11-25-21(29)17-7-10-19-20(12-17)23(31)28(22(19)30)18-8-5-16(6-9-18)13-27-15-24-14-26-27/h5-10,12,14-15H,2-4,11,13H2,1H3,(H,25,29)