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

Systemtic Name: [1-[(diphenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate Openeye Name: [2-(benzhydrylamino)-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-[(diphenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(benzhydrylamino)-1-oxopropan-2-yl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate Traditional Name: 6-(3,5-dimethylpyrazol-1-yl)nicotinic acid [2-(benzhydrylamino)-2-keto-1-methyl-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)OC(C)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O3/c1-18-16-19(2)31(30-18)24-15-14-23(17-28-24)27(33)34-20(3)26(32)29-25(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17,20,25H,1-3H3,(H,29,32)