4-methoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-phenyl-pyrazole-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=NN(C=C3OC)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=NN(C=C3OC)C4=CC=CC=C4

InChI

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