[2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-propan-2-yl-1H-pyrazole-4-carboxylate

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-propan-2-yl-1H-pyrazole-4-carboxylate Openeye Name: [2-(N-(3-amino-3-oxo-propyl)-4-fluoro-anilino)-2-oxo-ethyl] 5-isopropyl-1H-pyrazole-4-carboxylate CAS Name: 5-propan-2-yl-1H-pyrazole-4-carboxylic acid [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 5-propan-2-yl-1H-pyrazole-4-carboxylate Traditional Name: 5-isopropyl-1H-pyrazole-4-carboxylic acid [2-(N-(3-amino-3-keto-propyl)-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C18H21FN4O4 MolecularWeight: 376.382143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1)C(=O)OCC(=O)N(CCC(=O)N)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)C1=C(C=NN1)C(=O)OCC(=O)N(CCC(=O)N)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H21FN4O4/c1-11(2)17-14(9-21-22-17)18(26)27-10-16(25)23(8-7-15(20)24)13-5-3-12(19)4-6-13/h3-6,9,11H,7-8,10H2,1-2H3,(H2,20,24)(H,21,22)