2-[4-[1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[[1-(2-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C27H28FN6O2+ MolecularWeight: 487.548623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4F)N5C=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4F)N5C=CC=C5

InChI

InChI=1S/C27H27FN6O2/c28-23-10-4-5-11-24(23)34-26(32-12-6-7-13-32)22(19-30-34)27(36)33-16-14-31(15-17-33)20-25(35)29-18-21-8-2-1-3-9-21/h1-13,19H,14-18,20H2,(H,29,35)/p+1