[1-[bis(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate

Systemtic Name: [1-[bis(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate Openeye Name: [2-(dibenzylamino)-1-methyl-2-oxo-ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinecarboxylic acid [1-[bis(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(dibenzylamino)-1-oxopropan-2-yl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate Traditional Name: 6-(3,5-dimethylpyrazol-1-yl)nicotinic acid [2-(dibenzylamino)-2-keto-1-methyl-ethyl] ester Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC=C(C=C2)C(=O)OC(C)C(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C2=NC=C(C=C2)C(=O)OC(C)C(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C28H28N4O3/c1-20-16-21(2)32(30-20)26-15-14-25(17-29-26)28(34)35-22(3)27(33)31(18-23-10-6-4-7-11-23)19-24-12-8-5-9-13-24/h4-17,22H,18-19H2,1-3H3