(4Z)-4-[1-[(4-methylpiperazin-4-ium-1-yl)amino]ethylidene]-2,5-diphenyl-pyrazol-3-one

Systemtic Name: (4Z)-4-[1-[(4-methylpiperazin-4-ium-1-yl)amino]ethylidene]-2,5-diphenyl-pyrazol-3-one Openeye Name: (4Z)-4-[1-[(4-methylpiperazin-4-ium-1-yl)amino]ethylidene]-2,5-diphenyl-pyrazol-3-one CAS Name: (4Z)-4-[1-[(4-methyl-1-piperazin-4-iumyl)amino]ethylidene]-2,5-diphenyl-3-pyrazolone IUPAC Name: (4Z)-4-[1-[(4-methylpiperazin-4-ium-1-yl)amino]ethylidene]-2,5-diphenylpyrazol-3-one Traditional Name: (4Z)-4-[1-[(4-methylpiperazin-4-ium-1-yl)amino]ethylidene]-2,5-diphenyl-2-pyrazolin-3-one Formula: C22H26N5O+ MolecularWeight: 376.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=NN(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)NN4CC[NH+](CC4)C

Isomeric SMILES

C/C(=C/1\C(=NN(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)/NN4CC[NH+](CC4)C

InChI

InChI=1S/C22H25N5O/c1-17(23-26-15-13-25(2)14-16-26)20-21(18-9-5-3-6-10-18)24-27(22(20)28)19-11-7-4-8-12-19/h3-12,23H,13-16H2,1-2H3/p+1/b20-17-