N-butyl-1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxamide

Systemtic Name: N-butyl-1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxamide Openeye Name: N-butyl-1,3-dioxo-2-phenethyl-isoindoline-5-carboxamide CAS Name: N-butyl-1,3-dioxo-2-phenethyl-5-isoindolecarboxamide IUPAC Name: N-butyl-1,3-dioxo-2-phenethylisoindole-5-carboxamide Traditional Name: N-butyl-1,3-diketo-2-phenethyl-isoindoline-5-carboxamide Formula: C21H22N2O3 MolecularWeight: 350.41098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CCC3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3/c1-2-3-12-22-19(24)16-9-10-17-18(14-16)21(26)23(20(17)25)13-11-15-7-5-4-6-8-15/h4-10,14H,2-3,11-13H2,1H3,(H,22,24)