[1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: [1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid [2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H22FN3O3 MolecularWeight: 395.426783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)OC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)F)OC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H22FN3O3/c1-16(22(28)24-13-17-7-10-19(23)11-8-17)29-21(27)12-9-18-14-25-26(15-18)20-5-3-2-4-6-20/h2-8,10-11,14-16H,9,12-13H2,1H3,(H,24,28)