diethyl-[(4S)-4-[[5-(2-fluorophenyl)-2-phenyl-pyrazol-3-yl]carbonylamino]pentyl]azanium

Systemtic Name: diethyl-[(4S)-4-[[5-(2-fluorophenyl)-2-phenyl-pyrazol-3-yl]carbonylamino]pentyl]azanium Openeye Name: diethyl-[(4S)-4-[[5-(2-fluorophenyl)-2-phenyl-pyrazole-3-carbonyl]amino]pentyl]ammonium CAS Name: diethyl-[(4S)-4-[[[5-(2-fluorophenyl)-2-phenyl-3-pyrazolyl]-oxomethyl]amino]pentyl]ammonium IUPAC Name: diethyl-[(4S)-4-[[5-(2-fluorophenyl)-2-phenylpyrazole-3-carbonyl]amino]pentyl]azanium Traditional Name: diethyl-[(4S)-4-[[5-(2-fluorophenyl)-2-phenyl-pyrazole-3-carbonyl]amino]pentyl]ammonium Formula: C25H32FN4O+ MolecularWeight: 423.546183

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)NC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CC=C3F

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)NC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CC=C3F

InChI

InChI=1S/C25H31FN4O/c1-4-29(5-2)17-11-12-19(3)27-25(31)24-18-23(21-15-9-10-16-22(21)26)28-30(24)20-13-7-6-8-14-20/h6-10,13-16,18-19H,4-5,11-12,17H2,1-3H3,(H,27,31)/p+1/t19-/m0/s1