2-(3-methyl-5-phenylazanyl-pyrazol-1-yl)ethyl 4-fluoranylbenzoate

Systemtic Name: 2-(3-methyl-5-phenylazanyl-pyrazol-1-yl)ethyl 4-fluoranylbenzoate Openeye Name: 2-(5-anilino-3-methyl-pyrazol-1-yl)ethyl 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid 2-(5-anilino-3-methyl-1-pyrazolyl)ethyl ester IUPAC Name: 2-(5-anilino-3-methylpyrazol-1-yl)ethyl 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid 2-(5-anilino-3-methyl-pyrazol-1-yl)ethyl ester Formula: C19H18FN3O2 MolecularWeight: 339.363523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC2=CC=CC=C2)CCOC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1)NC2=CC=CC=C2)CCOC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H18FN3O2/c1-14-13-18(21-17-5-3-2-4-6-17)23(22-14)11-12-25-19(24)15-7-9-16(20)10-8-15/h2-10,13,21H,11-12H2,1H3