N-[2-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]-2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxamide

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]-2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-phenyl-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: N-[2-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]-2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-phenyl-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-phenyl-5-(2-thienyl)pyrazole-3-carboxamide Formula: C26H26N5O2S+ MolecularWeight: 472.58194

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC(=NN3C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC(=NN3C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C26H25N5O2S/c1-29-13-15-30(16-14-29)26(33)20-10-5-6-11-21(20)27-25(32)23-18-22(24-12-7-17-34-24)28-31(23)19-8-3-2-4-9-19/h2-12,17-18H,13-16H2,1H3,(H,27,32)/p+1