2-[4-(1H-indazol-5-yloxy)cyclohexyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(1H-indazol-5-yloxy)cyclohexyl]isoindole-1,3-dione Openeye Name: 2-[4-(1H-indazol-5-yloxy)cyclohexyl]isoindoline-1,3-dione CAS Name: 2-[4-(1H-indazol-5-yloxy)cyclohexyl]isoindole-1,3-dione IUPAC Name: 2-[4-(1H-indazol-5-yloxy)cyclohexyl]isoindole-1,3-dione Traditional Name: 2-[4-(1H-indazol-5-yloxy)cyclohexyl]isoindoline-1,3-quinone Formula: C21H19N3O3 MolecularWeight: 361.39386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2C(=O)C3=CC=CC=C3C2=O)OC4=CC5=C(C=C4)NN=C5

Isomeric SMILES

C1CC(CCC1N2C(=O)C3=CC=CC=C3C2=O)OC4=CC5=C(C=C4)NN=C5

InChI

InChI=1S/C21H19N3O3/c25-20-17-3-1-2-4-18(17)21(26)24(20)14-5-7-15(8-6-14)27-16-9-10-19-13(11-16)12-22-23-19/h1-4,9-12,14-15H,5-8H2,(H,22,23)