ethyl 3-[[4-(diphenylmethyl)piperazin-4-ium-1-yl]hydrazinylidene]-5-fluoranyl-indole-2-carboxylate

Systemtic Name: ethyl 3-[[4-(diphenylmethyl)piperazin-4-ium-1-yl]hydrazinylidene]-5-fluoranyl-indole-2-carboxylate Openeye Name: ethyl 3-[(4-benzhydrylpiperazin-4-ium-1-yl)hydrazono]-5-fluoro-indole-2-carboxylate CAS Name: 3-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]hydrazinylidene]-5-fluoro-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-benzhydrylpiperazin-4-ium-1-yl)hydrazinylidene]-5-fluoroindole-2-carboxylate Traditional Name: 3-[(4-benzhydrylpiperazin-4-ium-1-yl)hydrazono]-5-fluoro-indole-2-carboxylic acid ethyl ester Formula: C28H29FN5O2+ MolecularWeight: 486.560563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=C(C1=NNN3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C=C(C=C2)F

Isomeric SMILES

CCOC(=O)C1=NC2=C(C1=NNN3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C=C(C=C2)F

InChI

InChI=1S/C28H28FN5O2/c1-2-36-28(35)26-25(23-19-22(29)13-14-24(23)30-26)31-32-34-17-15-33(16-18-34)27(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,19,27,32H,2,15-18H2,1H3/p+1