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

Systemtic Name: methyl 4-[[[5-(3-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methylamino]methyl]benzoate Openeye Name: methyl 4-[[[5-(3-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methylamino]methyl]benzoate CAS Name: 4-[[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]methyl]benzoate Traditional Name: 4-[[[5-(3-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methylamino]methyl]benzoic acid methyl ester Formula: C20H20FN3O3 MolecularWeight: 369.389503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C=NN2)CNCC3=CC=C(C=C3)C(=O)OC)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C=NN2)CNCC3=CC=C(C=C3)C(=O)OC)F

InChI

InChI=1S/C20H20FN3O3/c1-26-18-8-7-15(9-17(18)21)19-16(12-23-24-19)11-22-10-13-3-5-14(6-4-13)20(25)27-2/h3-9,12,22H,10-11H2,1-2H3,(H,23,24)