[2-(1-naphthalen-1-ylethylamino)-2-oxidanylidene-ethyl] 1,3,5-trimethylpyrazole-4-carboxylate

Systemtic Name: [2-(1-naphthalen-1-ylethylamino)-2-oxidanylidene-ethyl] 1,3,5-trimethylpyrazole-4-carboxylate Openeye Name: [2-[1-(1-naphthyl)ethylamino]-2-oxo-ethyl] 1,3,5-trimethylpyrazole-4-carboxylate CAS Name: 1,3,5-trimethyl-4-pyrazolecarboxylic acid [2-[1-(1-naphthalenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 1,3,5-trimethylpyrazole-4-carboxylate Traditional Name: 1,3,5-trimethylpyrazole-4-carboxylic acid [2-keto-2-[1-(1-naphthyl)ethylamino]ethyl] ester Formula: C21H23N3O3 MolecularWeight: 365.42562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)OCC(=O)NC(C)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)OCC(=O)NC(C)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H23N3O3/c1-13(17-11-7-9-16-8-5-6-10-18(16)17)22-19(25)12-27-21(26)20-14(2)23-24(4)15(20)3/h5-11,13H,12H2,1-4H3,(H,22,25)