2-[(5-cyano-1,2-dimethyl-pyrrol-3-yl)methylidene]-N,N'-bis(phenylmethyl)propanediamide

Systemtic Name: 2-[(5-cyano-1,2-dimethyl-pyrrol-3-yl)methylidene]-N,N'-bis(phenylmethyl)propanediamide Openeye Name: N,N'-dibenzyl-2-[(5-cyano-1,2-dimethyl-pyrrol-3-yl)methylene]propanediamide CAS Name: 2-[(5-cyano-1,2-dimethyl-3-pyrrolyl)methylidene]-N,N'-bis(phenylmethyl)propanediamide IUPAC Name: N,N'-dibenzyl-2-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylidene]propanediamide Traditional Name: N,N'-dibenzyl-2-[(5-cyano-1,2-dimethyl-pyrrol-3-yl)methylene]malonamide Formula: C25H24N4O2 MolecularWeight: 412.48366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C=C(C(=O)NCC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(N1C)C#N)C=C(C(=O)NCC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H24N4O2/c1-18-21(13-22(15-26)29(18)2)14-23(24(30)27-16-19-9-5-3-6-10-19)25(31)28-17-20-11-7-4-8-12-20/h3-14H,16-17H2,1-2H3,(H,27,30)(H,28,31)