(4-ethylpiperazin-4-ium-1-yl)-[1-(4-nitrophenyl)-5-phenyl-pyrazol-4-yl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(4-nitrophenyl)-5-phenyl-pyrazol-4-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(4-nitrophenyl)-5-phenyl-pyrazol-4-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[1-(4-nitrophenyl)-5-phenyl-4-pyrazolyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(4-nitrophenyl)-5-phenylpyrazol-4-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(4-nitrophenyl)-5-phenyl-pyrazol-4-yl]methanone Formula: C22H24N5O3+ MolecularWeight: 406.45766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O3/c1-2-24-12-14-25(15-13-24)22(28)20-16-23-26(21(20)17-6-4-3-5-7-17)18-8-10-19(11-9-18)27(29)30/h3-11,16H,2,12-15H2,1H3/p+1