4-[2-(4-fluoranylphenoxy)ethyl]-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-[2-(4-fluoranylphenoxy)ethyl]-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-[2-(4-fluorophenoxy)ethyl]-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-[2-(4-fluorophenoxy)ethyl]-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-[2-(4-fluorophenoxy)ethyl]-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-[2-(4-fluorophenoxy)ethyl]-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-ium-5-one Formula: C23H26FN4O2+ MolecularWeight: 409.476543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1=O)CCOC2=CC=C(C=C2)F)CC3=C(NN=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCN(C1=O)CCOC2=CC=C(C=C2)F)CC3=C(NN=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H25FN4O2/c24-20-6-8-21(9-7-20)30-15-14-28-13-12-27(11-10-22(28)29)17-19-16-25-26-23(19)18-4-2-1-3-5-18/h1-9,16H,10-15,17H2,(H,25,26)/p+1