ethyl 1-[(4-fluorophenyl)methyl]-5-[(3-oxidanylidenecyclohexen-1-yl)amino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[(4-fluorophenyl)methyl]-5-[(3-oxidanylidenecyclohexen-1-yl)amino]pyrazole-4-carboxylate Openeye Name: ethyl 1-[(4-fluorophenyl)methyl]-5-[(3-oxocyclohexen-1-yl)amino]pyrazole-4-carboxylate CAS Name: 1-[(4-fluorophenyl)methyl]-5-[(3-oxo-1-cyclohexenyl)amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-fluorophenyl)methyl]-5-[(3-oxocyclohexen-1-yl)amino]pyrazole-4-carboxylate Traditional Name: 1-(4-fluorobenzyl)-5-[(3-ketocyclohexen-1-yl)amino]pyrazole-4-carboxylic acid ethyl ester Formula: C19H20FN3O3 MolecularWeight: 357.378803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)CC2=CC=C(C=C2)F)NC3=CC(=O)CCC3

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)CC2=CC=C(C=C2)F)NC3=CC(=O)CCC3

InChI

InChI=1S/C19H20FN3O3/c1-2-26-19(25)17-11-21-23(12-13-6-8-14(20)9-7-13)18(17)22-15-4-3-5-16(24)10-15/h6-11,22H,2-5,12H2,1H3