N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]-3-phenyl-N'-pyridin-2-yl-pentanediamide

Systemtic Name: N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]-3-phenyl-N'-pyridin-2-yl-pentanediamide Openeye Name: N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-phenyl-N'-(2-pyridyl)pentanediamide CAS Name: N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-phenyl-N'-(2-pyridinyl)pentanediamide IUPAC Name: N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-phenyl-N'-pyridin-2-ylpentanediamide Traditional Name: N-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]-3-phenyl-N'-(2-pyridyl)glutaramide Formula: C27H28N6O3 MolecularWeight: 484.54962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32)CC(=O)NC4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32)CC(=O)NC4=CC=CC=N4

InChI

InChI=1S/C27H28N6O3/c34-24(29-15-8-16-30-26-21-11-4-5-12-22(21)27(36)33-32-26)17-20(19-9-2-1-3-10-19)18-25(35)31-23-13-6-7-14-28-23/h1-7,9-14,20H,8,15-18H2,(H,29,34)(H,30,32)(H,33,36)(H,28,31,35)