4-[[3-(3-fluoranyl-4-methoxy-phenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde

Systemtic Name: 4-[[3-(3-fluoranyl-4-methoxy-phenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde Openeye Name: 4-[[3-(3-fluoro-4-methoxy-phenyl)-1-(o-tolyl)pyrazol-4-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde CAS Name: 4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-4-pyrazolyl]methyl]-1,4-diazepan-4-ium-1-carboxaldehyde IUPAC Name: 4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde Traditional Name: 4-[[3-(3-fluoro-4-methoxy-phenyl)-1-(o-tolyl)pyrazol-4-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde Formula: C24H28FN4O2+ MolecularWeight: 423.503123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=C(C(=N2)C3=CC(=C(C=C3)OC)F)C[NH+]4CCCN(CC4)C=O

Isomeric SMILES

CC1=CC=CC=C1N2C=C(C(=N2)C3=CC(=C(C=C3)OC)F)C[NH+]4CCCN(CC4)C=O

InChI

InChI=1S/C24H27FN4O2/c1-18-6-3-4-7-22(18)29-16-20(15-27-10-5-11-28(17-30)13-12-27)24(26-29)19-8-9-23(31-2)21(25)14-19/h3-4,6-9,14,16-17H,5,10-13,15H2,1-2H3/p+1