3-cyanopropyl 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate

Systemtic Name: 3-cyanopropyl 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate Openeye Name: 3-cyanopropyl 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate CAS Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-4-pyrazolecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylic acid 3-cyanopropyl ester Formula: C21H18FN3O3 MolecularWeight: 379.384323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCCCC#N)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCCCC#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H18FN3O3/c1-27-18-6-4-5-15(13-18)20-19(21(26)28-12-3-2-11-23)14-25(24-20)17-9-7-16(22)8-10-17/h4-10,13-14H,2-3,12H2,1H3