2-cyclohexyl-N-(3-ethynylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-cyclohexyl-N-(3-ethynylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-cyclohexyl-N-(3-ethynylphenyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-cyclohexyl-N-(3-ethynylphenyl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-cyclohexyl-N-(3-ethynylphenyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-cyclohexyl-N-(3-ethynylphenyl)-1,3-diketo-isoindoline-5-carboxamide Formula: C23H20N2O3 MolecularWeight: 372.4165

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4CCCCC4

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4CCCCC4

InChI

InChI=1S/C23H20N2O3/c1-2-15-7-6-8-17(13-15)24-21(26)16-11-12-19-20(14-16)23(28)25(22(19)27)18-9-4-3-5-10-18/h1,6-8,11-14,18H,3-5,9-10H2,(H,24,26)