[(1R)-1-[2,4-bis(fluoranyl)phenyl]ethyl]-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [(1R)-1-[2,4-bis(fluoranyl)phenyl]ethyl]-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl]ammonium CAS Name: [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl]ammonium IUPAC Name: [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]azanium Traditional Name: [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl]ammonium Formula: C21H23F2N4O+ MolecularWeight: 385.430326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C[NH2+]C(C)C3=C(C=C(C=C3)F)F

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C[NH2+][C@H](C)C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C21H22F2N4O/c1-13(18-10-9-16(22)11-19(18)23)24-12-20(28)25-21-14(2)26-27(15(21)3)17-7-5-4-6-8-17/h4-11,13,24H,12H2,1-3H3,(H,25,28)/p+1/t13-/m1/s1