4-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde

Systemtic Name: 4-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde Openeye Name: 4-[[3-(4-fluorophenyl)-1-(p-tolyl)pyrazol-4-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde CAS Name: 4-[[3-(4-fluorophenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]-1,4-diazepan-4-ium-1-carboxaldehyde IUPAC Name: 4-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde Traditional Name: 4-[[3-(4-fluorophenyl)-1-(p-tolyl)pyrazol-4-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde Formula: C23H26FN4O+ MolecularWeight: 393.477143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C[NH+]4CCCN(CC4)C=O

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C[NH+]4CCCN(CC4)C=O

InChI

InChI=1S/C23H25FN4O/c1-18-3-9-22(10-4-18)28-16-20(15-26-11-2-12-27(17-29)14-13-26)23(25-28)19-5-7-21(24)8-6-19/h3-10,16-17H,2,11-15H2,1H3/p+1