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

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxylate Openeye Name: [2-(benzylamino)-1-methyl-2-oxo-ethyl] 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-(3-pyridinyl)-4-pyrazolecarboxylic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxopropan-2-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylic acid [2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H22N4O3/c1-18(24(30)27-15-19-9-4-2-5-10-19)32-25(31)22-17-29(21-12-6-3-7-13-21)28-23(22)20-11-8-14-26-16-20/h2-14,16-18H,15H2,1H3,(H,27,30)