5-azanyl-3-[(Z)-1-cyano-2-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]ethenyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-[(Z)-1-cyano-2-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]ethenyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(Z)-1-cyano-2-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]vinyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(Z)-1-cyano-2-[4-(4-methyl-1-piperazin-4-iumyl)-3-nitrophenyl]ethenyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(Z)-1-cyano-2-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitrophenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(Z)-1-cyano-2-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]vinyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C24H23N8O2+ MolecularWeight: 455.49182

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C=C(C#N)C3=NN(C(=C3C#N)N)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)/C=C(\C#N)/C3=NN(C(=C3C#N)N)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N8O2/c1-29-9-11-30(12-10-29)21-8-7-17(14-22(21)32(33)34)13-18(15-25)23-20(16-26)24(27)31(28-23)19-5-3-2-4-6-19/h2-8,13-14H,9-12,27H2,1H3/p+1/b18-13+