N-[4-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-phenyl-pyrazol-3-yl]-4-nitro-benzamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-phenyl-pyrazol-3-yl]-4-nitro-benzamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-carbonyl)-2-phenyl-pyrazol-3-yl]-4-nitro-benzamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-2-phenyl-3-pyrazolyl]-4-nitrobenzamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-carbonyl)-2-phenylpyrazol-3-yl]-4-nitrobenzamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-carbonyl)-2-phenyl-pyrazol-3-yl]-4-nitro-benzamide Formula: C22H23N6O4+ MolecularWeight: 435.45582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O4/c1-25-11-13-26(14-12-25)22(30)19-15-23-27(17-5-3-2-4-6-17)20(19)24-21(29)16-7-9-18(10-8-16)28(31)32/h2-10,15H,11-14H2,1H3,(H,24,29)/p+1