N'-(3-ethynylphenyl)-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]pentanediamide

Systemtic Name: N'-(3-ethynylphenyl)-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]pentanediamide Openeye Name: N'-(3-ethynylphenyl)-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]pentanediamide CAS Name: N'-(3-ethynylphenyl)-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]pentanediamide IUPAC Name: N'-(3-ethynylphenyl)-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]pentanediamide Traditional Name: N'-(3-ethynylphenyl)-N-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]glutaramide Formula: C24H25N5O3 MolecularWeight: 431.487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)CCCC(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)CCCC(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C24H25N5O3/c1-2-17-8-5-9-18(16-17)27-22(31)13-6-12-21(30)25-14-7-15-26-23-19-10-3-4-11-20(19)24(32)29-28-23/h1,3-5,8-11,16H,6-7,12-15H2,(H,25,30)(H,26,28)(H,27,31)(H,29,32)