3-(2-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(2-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(2-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(2-methoxyphenyl)-N-(4-methyl-1-piperazin-4-iumyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(2-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(2-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pyrazole-4-carboxamide Formula: C22H26N5O2+ MolecularWeight: 392.47414

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2=CN(N=C2C3=CC=CC=C3OC)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2=CN(N=C2C3=CC=CC=C3OC)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5O2/c1-25-12-14-26(15-13-25)24-22(28)19-16-27(17-8-4-3-5-9-17)23-21(19)18-10-6-7-11-20(18)29-2/h3-11,16H,12-15H2,1-2H3,(H,24,28)/p+1