[2-(1,2-diphenylethylamino)-2-oxidanylidene-ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate

Systemtic Name: [2-(1,2-diphenylethylamino)-2-oxidanylidene-ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate Openeye Name: [2-(1,2-diphenylethylamino)-2-oxo-ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinecarboxylic acid [2-(1,2-diphenylethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-diphenylethylamino)-2-oxoethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate Traditional Name: 6-(3,5-dimethylpyrazol-1-yl)nicotinic acid [2-(1,2-diphenylethylamino)-2-keto-ethyl] ester Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC=C(C=C2)C(=O)OCC(=O)NC(CC3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C2=NC=C(C=C2)C(=O)OCC(=O)NC(CC3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H26N4O3/c1-19-15-20(2)31(30-19)25-14-13-23(17-28-25)27(33)34-18-26(32)29-24(22-11-7-4-8-12-22)16-21-9-5-3-6-10-21/h3-15,17,24H,16,18H2,1-2H3,(H,29,32)