N-[1-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]pyrazol-4-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[1-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]pyrazol-4-yl]-2-fluoranyl-benzamide Openeye Name: N-[1-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethyl]pyrazol-4-yl]-2-fluoro-benzamide CAS Name: N-[1-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-4-pyrazolyl]-2-fluorobenzamide IUPAC Name: N-[1-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]pyrazol-4-yl]-2-fluorobenzamide Traditional Name: N-[1-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]pyrazol-4-yl]-2-fluoro-benzamide Formula: C29H29FN5O2+ MolecularWeight: 498.571263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CN4C=C(C=N4)NC(=O)C5=CC=CC=C5F

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CN4C=C(C=N4)NC(=O)C5=CC=CC=C5F

InChI

InChI=1S/C29H28FN5O2/c30-26-14-8-7-13-25(26)29(37)32-24-19-31-35(20-24)21-27(36)33-15-17-34(18-16-33)28(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-14,19-20,28H,15-18,21H2,(H,32,37)/p+1