methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-4-fluoranyl-benzoate

Systemtic Name: methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-4-fluoro-benzoate CAS Name: 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-4-fluorobenzoate Traditional Name: 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-4-fluoro-benzoic acid methyl ester Formula: C14H16FN3O2 MolecularWeight: 277.294143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CNC2=C(C=CC(=C2)C(=O)OC)F

Isomeric SMILES

CC1=C(C(=NN1)C)CNC2=C(C=CC(=C2)C(=O)OC)F

InChI

InChI=1S/C14H16FN3O2/c1-8-11(9(2)18-17-8)7-16-13-6-10(14(19)20-3)4-5-12(13)15/h4-6,16H,7H2,1-3H3,(H,17,18)