2-[2-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)-1-oxidanidyl-pyrazol-1-ium-3-yl]benzenecarbonitrile

Systemtic Name: 2-[2-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)-1-oxidanidyl-pyrazol-1-ium-3-yl]benzenecarbonitrile Openeye Name: 2-[2-[(4-methoxyphenyl)methyl]-1-oxido-5-(p-tolyl)pyrazol-1-ium-3-yl]benzonitrile CAS Name: 2-[2-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)-1-oxido-3-pyrazol-1-iumyl]benzonitrile IUPAC Name: 2-[2-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)-1-oxidopyrazol-1-ium-3-yl]benzonitrile Traditional Name: 2-[1-oxido-2-p-anisyl-5-(p-tolyl)pyrazol-1-ium-3-yl]benzonitrile Formula: C25H21N3O2 MolecularWeight: 395.45314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[N+](N(C(=C2)C3=CC=CC=C3C#N)CC4=CC=C(C=C4)OC)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=[N+](N(C(=C2)C3=CC=CC=C3C#N)CC4=CC=C(C=C4)OC)[O-]

InChI

InChI=1S/C25H21N3O2/c1-18-7-11-20(12-8-18)24-15-25(23-6-4-3-5-21(23)16-26)27(28(24)29)17-19-9-13-22(30-2)14-10-19/h3-15H,17H2,1-2H3