1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one CAS Name: 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-phenoxyethyl)-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=CC=C2)CC3=C(NN=C3)C4=CC=C(C=C4)F

Isomeric SMILES

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

InChI

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