ethyl 1-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-3,5-dimethyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-3,5-dimethyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 1-[4-[[(2-fluorophenyl)methylamino]-oxomethyl]phenyl]-3,5-dimethyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-[4-[(2-fluorobenzyl)carbamoyl]phenyl]-3,5-dimethyl-pyrazole-4-carboxylic acid ethyl ester Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3F)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3F)C

InChI

InChI=1S/C22H22FN3O3/c1-4-29-22(28)20-14(2)25-26(15(20)3)18-11-9-16(10-12-18)21(27)24-13-17-7-5-6-8-19(17)23/h5-12H,4,13H2,1-3H3,(H,24,27)