5-[4-chloranyl-3-(6-dibenzofuran-2-yloxyhexyl)phenyl]-1H-pyrazole

Systemtic Name: 5-[4-chloranyl-3-(6-dibenzofuran-2-yloxyhexyl)phenyl]-1H-pyrazole Openeye Name: 5-[4-chloro-3-(6-dibenzofuran-2-yloxyhexyl)phenyl]-1H-pyrazole CAS Name: 5-[4-chloro-3-[6-(2-dibenzofuranyloxy)hexyl]phenyl]-1H-pyrazole IUPAC Name: 5-[4-chloro-3-(6-dibenzofuran-2-yloxyhexyl)phenyl]-1H-pyrazole Traditional Name: 5-[4-chloro-3-(6-dibenzofuran-2-yloxyhexyl)phenyl]-1H-pyrazole Formula: C27H25ClN2O2 MolecularWeight: 444.9526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)OCCCCCCC4=C(C=CC(=C4)C5=CC=NN5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)OCCCCCCC4=C(C=CC(=C4)C5=CC=NN5)Cl

InChI

InChI=1S/C27H25ClN2O2/c28-24-12-10-20(25-14-15-29-30-25)17-19(24)7-3-1-2-6-16-31-21-11-13-27-23(18-21)22-8-4-5-9-26(22)32-27/h4-5,8-15,17-18H,1-3,6-7,16H2,(H,29,30)