ethyl 1-[4-(hexadecanoylamino)phenyl]-2-methyl-5-oxidanylidene-pyrazole-3-carboxylate

Systemtic Name: ethyl 1-[4-(hexadecanoylamino)phenyl]-2-methyl-5-oxidanylidene-pyrazole-3-carboxylate Openeye Name: ethyl 1-[4-(hexadecanoylamino)phenyl]-2-methyl-5-oxo-pyrazole-3-carboxylate CAS Name: 2-methyl-5-oxo-1-[4-(1-oxohexadecylamino)phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(hexadecanoylamino)phenyl]-2-methyl-5-oxopyrazole-3-carboxylate Traditional Name: 5-keto-2-methyl-1-(4-palmitamidophenyl)-3-pyrazoline-3-carboxylic acid ethyl ester Formula: C29H45N3O4 MolecularWeight: 499.6853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)N2C(=O)C=C(N2C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)N2C(=O)C=C(N2C)C(=O)OCC

InChI

InChI=1S/C29H45N3O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-27(33)30-24-19-21-25(22-20-24)32-28(34)23-26(31(32)3)29(35)36-5-2/h19-23H,4-18H2,1-3H3,(H,30,33)