[2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxylate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxylate Openeye Name: [2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 1-benzyl-3-(3-pyridyl)pyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolecarboxylic acid [2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxo-1-phenylethyl] 1-benzyl-3-pyridin-3-ylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(3-pyridyl)pyrazole-4-carboxylic acid [2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C26H24N4O3 MolecularWeight: 440.49376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(C1=CC=CC=C1)OC(=O)C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN(C)C(=O)C(C1=CC=CC=C1)OC(=O)C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H24N4O3/c1-29(2)25(31)24(20-12-7-4-8-13-20)33-26(32)22-18-30(17-19-10-5-3-6-11-19)28-23(22)21-14-9-15-27-16-21/h3-16,18,24H,17H2,1-2H3