ethyl 5-[(2-acetamidoethylamino)methyl]-1-(4-fluorophenyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(2-acetamidoethylamino)methyl]-1-(4-fluorophenyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[(2-acetamidoethylamino)methyl]-1-(4-fluorophenyl)pyrazole-4-carboxylate CAS Name: 5-[(2-acetamidoethylamino)methyl]-1-(4-fluorophenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-acetamidoethylamino)methyl]-1-(4-fluorophenyl)pyrazole-4-carboxylate Traditional Name: 5-[(2-acetamidoethylamino)methyl]-1-(4-fluorophenyl)pyrazole-4-carboxylic acid ethyl ester Formula: C17H21FN4O3 MolecularWeight: 348.372043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)F)CNCCNC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)F)CNCCNC(=O)C

InChI

InChI=1S/C17H21FN4O3/c1-3-25-17(24)15-10-21-22(14-6-4-13(18)5-7-14)16(15)11-19-8-9-20-12(2)23/h4-7,10,19H,3,8-9,11H2,1-2H3,(H,20,23)