4-[2-[[(4S)-3-methyl-1-(4-nitrophenyl)-5-oxidanylidene-4H-pyrazol-4-yl]methylideneamino]ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-[[(4S)-3-methyl-1-(4-nitrophenyl)-5-oxidanylidene-4H-pyrazol-4-yl]methylideneamino]ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-[[(4S)-3-methyl-1-(4-nitrophenyl)-5-oxo-4H-pyrazol-4-yl]methyleneamino]ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide CAS Name: 4-[2-[[(4S)-3-methyl-1-(4-nitrophenyl)-5-oxo-4H-pyrazol-4-yl]methylideneamino]ethyl]-N-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-[[(4S)-3-methyl-1-(4-nitrophenyl)-5-oxo-4H-pyrazol-4-yl]methylideneamino]ethyl]-N-phenylpiperazin-4-ium-1-carboxamide Traditional Name: 4-[2-[[(4S)-5-keto-3-methyl-1-(4-nitrophenyl)-2-pyrazolin-4-yl]methyleneamino]ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide Formula: C24H28N7O4+ MolecularWeight: 478.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C=NCC[NH+]2CCN(CC2)C(=O)NC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)[C@H]1C=NCC[NH+]2CCN(CC2)C(=O)NC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H27N7O4/c1-18-22(23(32)30(27-18)20-7-9-21(10-8-20)31(34)35)17-25-11-12-28-13-15-29(16-14-28)24(33)26-19-5-3-2-4-6-19/h2-10,17,22H,11-16H2,1H3,(H,26,33)/p+1/t22-/m0/s1