ethyl 3-azanyl-1-(2-fluorophenyl)carbonyl-5-(4-methoxyphenyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 3-azanyl-1-(2-fluorophenyl)carbonyl-5-(4-methoxyphenyl)pyrazole-4-carboxylate Openeye Name: ethyl 3-amino-1-(2-fluorobenzoyl)-5-(4-methoxyphenyl)pyrazole-4-carboxylate CAS Name: 3-amino-1-[(2-fluorophenyl)-oxomethyl]-5-(4-methoxyphenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-1-(2-fluorobenzoyl)-5-(4-methoxyphenyl)pyrazole-4-carboxylate Traditional Name: 3-amino-1-(2-fluorobenzoyl)-5-(4-methoxyphenyl)pyrazole-4-carboxylic acid ethyl ester Formula: C20H18FN3O4 MolecularWeight: 383.373023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1N)C(=O)C2=CC=CC=C2F)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1N)C(=O)C2=CC=CC=C2F)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H18FN3O4/c1-3-28-20(26)16-17(12-8-10-13(27-2)11-9-12)24(23-18(16)22)19(25)14-6-4-5-7-15(14)21/h4-11H,3H2,1-2H3,(H2,22,23)