2-[3-[6-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)-1H-benzimidazol-2-yl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[6-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)-1H-benzimidazol-2-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-benzimidazol-2-yl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-benzimidazol-2-yl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-benzimidazol-2-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[6-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)-1H-benzimidazol-2-yl]propyl]isoindoline-1,3-quinone Formula: C23H21N5O3 MolecularWeight: 415.44454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC3=C(C=C2)N=C(N3)CCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC3=C(C=C2)N=C(N3)CCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C23H21N5O3/c1-13-11-20(29)26-27-21(13)14-8-9-17-18(12-14)25-19(24-17)7-4-10-28-22(30)15-5-2-3-6-16(15)23(28)31/h2-3,5-6,8-9,12-13H,4,7,10-11H2,1H3,(H,24,25)(H,26,29)