N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,5-diphenyl-pyrazole-3-carboxamide

Systemtic Name: N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,5-diphenyl-pyrazole-3-carboxamide Openeye Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,5-diphenyl-pyrazole-3-carboxamide CAS Name: N-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-2,5-diphenyl-3-pyrazolecarboxamide IUPAC Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,5-diphenylpyrazole-3-carboxamide Traditional Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,5-diphenyl-pyrazole-3-carboxamide Formula: C27H27ClN5O+ MolecularWeight: 472.98918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26ClN5O/c1-31-14-16-32(17-15-31)25-13-12-21(28)18-24(25)29-27(34)26-19-23(20-8-4-2-5-9-20)30-33(26)22-10-6-3-7-11-22/h2-13,18-19H,14-17H2,1H3,(H,29,34)/p+1