[2-[(3-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 1-phenyl-5-pyridin-3-yl-pyrazole-3-carboxylate

Systemtic Name: [2-[(3-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 1-phenyl-5-pyridin-3-yl-pyrazole-3-carboxylate Openeye Name: [2-[(3-fluorophenyl)methyl-methyl-amino]-2-oxo-ethyl] 1-phenyl-5-(3-pyridyl)pyrazole-3-carboxylate CAS Name: 1-phenyl-5-(3-pyridinyl)-3-pyrazolecarboxylic acid [2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-phenyl-5-pyridin-3-ylpyrazole-3-carboxylate Traditional Name: 1-phenyl-5-(3-pyridyl)pyrazole-3-carboxylic acid [2-[(3-fluorobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C25H21FN4O3 MolecularWeight: 444.457643

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)F)C(=O)COC(=O)C2=NN(C(=C2)C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC(=CC=C1)F)C(=O)COC(=O)C2=NN(C(=C2)C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H21FN4O3/c1-29(16-18-7-5-9-20(26)13-18)24(31)17-33-25(32)22-14-23(19-8-6-12-27-15-19)30(28-22)21-10-3-2-4-11-21/h2-15H,16-17H2,1H3