diethyl-[(1S)-2-[[1-(2-fluorophenyl)-5-methyl-pyrazol-4-yl]carbonylamino]-1-phenyl-ethyl]azanium

Systemtic Name: diethyl-[(1S)-2-[[1-(2-fluorophenyl)-5-methyl-pyrazol-4-yl]carbonylamino]-1-phenyl-ethyl]azanium Openeye Name: diethyl-[(1S)-2-[[1-(2-fluorophenyl)-5-methyl-pyrazole-4-carbonyl]amino]-1-phenyl-ethyl]ammonium CAS Name: diethyl-[(1S)-2-[[[1-(2-fluorophenyl)-5-methyl-4-pyrazolyl]-oxomethyl]amino]-1-phenylethyl]ammonium IUPAC Name: diethyl-[(1S)-2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-1-phenylethyl]azanium Traditional Name: diethyl-[(1S)-2-[[1-(2-fluorophenyl)-5-methyl-pyrazole-4-carbonyl]amino]-1-phenyl-ethyl]ammonium Formula: C23H28FN4O+ MolecularWeight: 395.493023

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)C1=C(N(N=C1)C2=CC=CC=C2F)C)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)C1=C(N(N=C1)C2=CC=CC=C2F)C)C3=CC=CC=C3

InChI

InChI=1S/C23H27FN4O/c1-4-27(5-2)22(18-11-7-6-8-12-18)16-25-23(29)19-15-26-28(17(19)3)21-14-10-9-13-20(21)24/h6-15,22H,4-5,16H2,1-3H3,(H,25,29)/p+1/t22-/m1/s1