3-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(3,4-dimethoxyphenyl)-N-(4-methyl-1-piperazin-4-iumyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pyrazole-4-carboxamide Formula: C23H28N5O3+ MolecularWeight: 422.50012

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2=CN(N=C2C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2=CN(N=C2C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C23H27N5O3/c1-26-11-13-27(14-12-26)25-23(29)19-16-28(18-7-5-4-6-8-18)24-22(19)17-9-10-20(30-2)21(15-17)31-3/h4-10,15-16H,11-14H2,1-3H3,(H,25,29)/p+1